ethyl 2-[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-anilino-4-oxo-butanoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(4-anilino-1,4-dioxobutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-anilino-4-oxobutanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-anilino-4-keto-butanoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S/c1-2-27-21(26)19-15-10-6-7-11-16(15)28-20(19)23-18(25)13-12-17(24)22-14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,22,24)(H,23,25)