[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-5-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-5-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 2-hydroxy-5-(2-thienylsulfonylamino)benzoate CAS Name: 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-hydroxy-5-(2-thienylsulfonylamino)benzoic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C21H19N3O9S2 MolecularWeight: 521.52026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O9S2/c1-12-8-16(24(28)29)18(32-2)10-15(12)22-19(26)11-33-21(27)14-9-13(5-6-17(14)25)23-35(30,31)20-4-3-7-34-20/h3-10,23,25H,11H2,1-2H3,(H,22,26)