[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [2-(4-ethoxyanilino)-2-oxo-ethyl] 4-[(5-bromo-2-thienyl)sulfonylamino]benzoate CAS Name: 4-[(5-bromo-2-thiophenyl)sulfonylamino]benzoic acid [2-(4-ethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyanilino)-2-oxoethyl] 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 4-[(5-bromo-2-thienyl)sulfonylamino]benzoic acid [2-keto-2-(p-phenetidino)ethyl] ester Formula: C21H19BrN2O6S2 MolecularWeight: 539.41936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C21H19BrN2O6S2/c1-2-29-17-9-7-15(8-10-17)23-19(25)13-30-21(26)14-3-5-16(6-4-14)24-32(27,28)20-12-11-18(22)31-20/h3-12,24H,2,13H2,1H3,(H,23,25)