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

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 2-[(2-chloro-5-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[(2-chloro-5-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-chloro-5-nitro-benzoyl)amino]-3-methyl-butyric acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C19H17ClN4O6S MolecularWeight: 464.87948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=C(C=CS1)C#N)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)NC1=C(C=CS1)C#N)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H17ClN4O6S/c1-10(2)16(23-17(26)13-7-12(24(28)29)3-4-14(13)20)19(27)30-9-15(25)22-18-11(8-21)5-6-31-18/h3-7,10,16H,9H2,1-2H3,(H,22,25)(H,23,26)