methyl 6-methyl-2-[(4-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 6-methyl-2-[(4-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-(p-tolylsulfonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[(4-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[(4-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-(tosylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H21NO4S2/c1-11-4-7-13(8-5-11)25(21,22)19-17-16(18(20)23-3)14-9-6-12(2)10-15(14)24-17/h4-5,7-8,12,19H,6,9-10H2,1-3H3