[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(phenylcarbamoylamino)propanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-(phenylcarbamoylamino)propanoate CAS Name: 3-[[anilino(oxo)methyl]amino]propanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 3-(phenylcarbamoylamino)propanoate Traditional Name: 3-(phenylcarbamoylamino)propionic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O4S/c18-10-12-7-9-26-16(12)21-14(22)11-25-15(23)6-8-19-17(24)20-13-4-2-1-3-5-13/h1-5,7,9H,6,8,11H2,(H,21,22)(H2,19,20,24)