[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C19H20ClNO5S2 MolecularWeight: 441.9488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NC3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H20ClNO5S2/c1-11-3-6-16-12(7-11)8-17(27-16)19(23)26-10-18(22)21-15-9-13(28(2,24)25)4-5-14(15)20/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,21,22)