[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-5-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-oxidanyl-5-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] 2-hydroxy-5-(2-thienylsulfonylamino)benzoate CAS Name: 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-hydroxy-5-(2-thienylsulfonylamino)benzoic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H20N2O8S2 MolecularWeight: 492.5221

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CS3)O)OC

InChI

InChI=1S/C21H20N2O8S2/c1-29-17-8-6-13(11-18(17)30-2)22-19(25)12-31-21(26)15-10-14(5-7-16(15)24)23-33(27,28)20-4-3-9-32-20/h3-11,23-24H,12H2,1-2H3,(H,22,25)