AC1MW3PF

prop-2-enyl 5-cyano-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

Also Known As: ChemDiv1_028784|Oprea1_397587|Oprea1_540051|HMS668M08|AE-848/40938210|SR-01000484817-1|5-Cyano-2-methyl-6-(thiazol-2-ylcarbamoylmethylsulfanyl)-4-thiophen-2-yl-1,4-dihydro-pyridine-3-carbo xylic acid allyl ester|allyl 5-cyano-2-methyl-6-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate|allyl 5-cyano-2-methyl-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate|prop-2-en-1-yl 5-cyano-2-methyl-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate|prop-2-enyl 5-cyano-2-methyl-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate

Molecular Formula	C20H18N4O3S3
Molecular Weight	458.0541 g/mol
LogP	4.00168
Topological Polar Surface Area	104.11 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	8
Exact Mass	458.0541
Monoisotopic Mass	458.0541
Heavy Atoms	30
Complexity	1034.0498

Chemical Identifiers

CAS Number	369395-17-5
SMILES	CC1=C(C(C(=C(N1)SCC(=O)NC2=NC=CS2)C#N)C3=CC=CS3)C(=O)OCC=C