ethyl 2-[2-(5-oxidanylidene-7-phenyl-1,4-diazepan-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(5-oxidanylidene-7-phenyl-1,4-diazepan-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5-oxo-7-phenyl-1,4-diazepan-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(5-keto-7-phenyl-1,4-diazepan-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)CN2CCNC(=O)CC2C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)CN2CCNC(=O)CC2C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4S/c1-2-27-20(26)15-8-11-28-19(15)22-18(25)13-23-10-9-21-17(24)12-16(23)14-6-4-3-5-7-14/h3-8,11,16H,2,9-10,12-13H2,1H3,(H,21,24)(H,22,25)