[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[(3-methyl-4-nitro-phenyl)carbonylamino]ethanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 2-[(3-methyl-4-nitro-benzoyl)amino]acetate CAS Name: 2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]acetic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-[(3-methyl-4-nitrobenzoyl)amino]acetate Traditional Name: 2-[(3-methyl-4-nitro-benzoyl)amino]acetic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C16H13ClN2O6S MolecularWeight: 396.80222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC(=O)OCC(=O)C2=CC=C(S2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN2O6S/c1-9-6-10(2-3-11(9)19(23)24)16(22)18-7-15(21)25-8-12(20)13-4-5-14(17)26-13/h2-6H,7-8H2,1H3,(H,18,22)