[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 2-(2-thienylsulfonylamino)benzoate CAS Name: 2-(thiophen-2-ylsulfonylamino)benzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-(2-thienylsulfonylamino)benzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C20H17N3O7S2 MolecularWeight: 475.49488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7S2/c1-13-8-9-14(11-17(13)23(26)27)21-18(24)12-30-20(25)15-5-2-3-6-16(15)22-32(28,29)19-7-4-10-31-19/h2-11,22H,12H2,1H3,(H,21,24)