[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylcarbonylbenzoate Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] 2-(thiophene-2-carbonyl)benzoate CAS Name: 2-[oxo(thiophen-2-yl)methyl]benzoic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate Traditional Name: 2-(2-thenoyl)benzoic acid [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C21H16ClNO6S2 MolecularWeight: 477.93784

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=CS3

InChI

InChI=1S/C21H16ClNO6S2/c1-31(27,28)13-8-9-16(22)17(11-13)23-19(24)12-29-21(26)15-6-3-2-5-14(15)20(25)18-7-4-10-30-18/h2-11H,12H2,1H3,(H,23,24)