ethyl 2-[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-oxidanylidene-4-[(phenylmethyl)amino]butanoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(benzylamino)-4-oxo-butanoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1,4-dioxo-4-[(phenylmethyl)amino]butyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(benzylamino)-4-oxobutanoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(benzylamino)-4-keto-butanoyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C24H24N2O4S/c1-2-30-24(29)22-19(18-11-7-4-8-12-18)16-31-23(22)26-21(28)14-13-20(27)25-15-17-9-5-3-6-10-17/h3-12,16H,2,13-15H2,1H3,(H,25,27)(H,26,28)