[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)carbonylamino]propanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-chlorophenyl)carbonylamino]propanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-[(4-chlorobenzoyl)amino]propanoate CAS Name: 3-[[(4-chlorophenyl)-oxomethyl]amino]propanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-[(4-chlorobenzoyl)amino]propanoate Traditional Name: 3-[(4-chlorobenzoyl)amino]propionic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H14ClN3O4S MolecularWeight: 391.82876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCC(=O)OCC(=O)NC2=C(C=CS2)C#N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)OCC(=O)NC2=C(C=CS2)C#N)Cl

InChI

InChI=1S/C17H14ClN3O4S/c18-13-3-1-11(2-4-13)16(24)20-7-5-15(23)25-10-14(22)21-17-12(9-19)6-8-26-17/h1-4,6,8H,5,7,10H2,(H,20,24)(H,21,22)