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

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-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-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H14N4O6S MolecularWeight: 402.38126

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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)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)OCC(=O)NC2=C(C=CS2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O6S/c18-9-12-6-8-28-17(12)20-14(22)10-27-15(23)5-7-19-16(24)11-1-3-13(4-2-11)21(25)26/h1-4,6,8H,5,7,10H2,(H,19,24)(H,20,22)