AC1O2BCU

(E)-4-[[3-ethoxycarbonyl-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]amino]-4-oxobut-2-enoic acid

Also Known As: 3-thiophenecarboxylic acid, 2-[[(2E)-3-carboxy-1-oxo-2-propenyl]amino]-5-methyl-4-[4-(2-methylpropyl)phenyl]-, 3-ethyl ester|(2E)-3-(N-{3-(ethoxycarbonyl)-5-methyl-4-[4-(2-methylpropyl)phenyl](2-thienyl) }carbamoyl)prop-2-enoic acid|(2E)-4-({3-(ethoxycarbonyl)-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl}amino)-4-oxobut-2-enoic acid|(2E)-4-[[3-(ETHOXYCARBONYL)-4-(4-ISOBUTYLPHENYL)-5-METHYL-2-THIENYL]AMINO]-4-OXOBUT-2-ENOIC ACID|(E)-4-[[3-ethoxycarbonyl-5-methyl-4-[4-(2-methylpropyl)phenyl]thiophen-2-yl]amino]-4-oxobut-2-enoic acid

Molecular Formula	C22H25NO5S
Molecular Weight	415.14536 g/mol
LogP	4.67802
Topological Polar Surface Area	92.7 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	8
Exact Mass	415.14536
Monoisotopic Mass	415.14536
Heavy Atoms	29
Complexity	925.42444

Chemical Identifiers

CAS Number	519016-41-2
SMILES	CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)CC(C)C)C)NC(=O)/C=C/C(=O)O