[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(3-chloranyl-5-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(3-chloranyl-5-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-[(3-chloro-5-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-chloro-5-nitrophenyl)-oxomethyl]amino]acetic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[(3-chloro-5-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-chloro-5-nitro-benzoyl)amino]acetic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C16H11ClN4O6S MolecularWeight: 422.79974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1C#N)NC(=O)COC(=O)CNC(=O)C2=CC(=CC(=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1C#N)NC(=O)COC(=O)CNC(=O)C2=CC(=CC(=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN4O6S/c17-11-3-10(4-12(5-11)21(25)26)15(24)19-7-14(23)27-8-13(22)20-16-9(6-18)1-2-28-16/h1-5H,7-8H2,(H,19,24)(H,20,22)