[2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl] (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: [2-(4-methylsulfonylphenyl)-2-oxidanylidene-ethyl] (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: [2-(4-methylsulfonylphenyl)-2-oxo-ethyl] (6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid [2-(4-methylsulfonylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylphenyl)-2-oxoethyl] (6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid [2-keto-2-(4-mesylphenyl)ethyl] ester Formula: C19H20O5S2 MolecularWeight: 392.4891

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)OCC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC=C2C(=O)OCC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H20O5S2/c1-12-3-8-15-16(11-25-18(15)9-12)19(21)24-10-17(20)13-4-6-14(7-5-13)26(2,22)23/h4-7,11-12H,3,8-10H2,1-2H3/t12-/m0/s1