AC1M035H

propan-2-yl 2-[[(E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Also Known As: (E)-isopropyl 2-(2-cyano-3-(5-methylfuran-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|methylethyl 2-[(2E)-2-cyano-3-(5-methyl(2-furyl))prop-2-enoylamino]-4,5,6,7-te trahydrobenzo[b]thiophene-3-carboxylate|propan-2-yl 2-[[(E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|propan-2-yl 2-{[(2E)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Molecular Formula	C21H22N2O4S
Molecular Weight	398.13004 g/mol
LogP	4.6392
Topological Polar Surface Area	92.33 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	398.13004
Monoisotopic Mass	398.13004
Heavy Atoms	28
Complexity	975.183

Chemical Identifiers

CAS Number	500271-77-2
SMILES	CC1=CC=C(O1)/C=C(\C#N)/C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C