[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: [2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl] 3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: 3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]propanoic acid [2-(3-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl] 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid [2-(3-acetylanilino)-2-keto-ethyl] ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CCNC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)COC(=O)CCNC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C21H22N2O6S/c1-14(24)15-4-2-5-16(12-15)23-20(27)13-29-21(28)9-10-22-19(26)8-7-17(25)18-6-3-11-30-18/h2-6,11-12H,7-10,13H2,1H3,(H,22,26)(H,23,27)