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

Systemtic Name: methyl 6-methyl-2-[(2-methylsulfonylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[(2-methylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[(2-methylsulfonylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[(2-methylsulfonylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-mesylbenzoyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C19H21NO5S2/c1-11-8-9-12-14(10-11)26-18(16(12)19(22)25-2)20-17(21)13-6-4-5-7-15(13)27(3,23)24/h4-7,11H,8-10H2,1-3H3,(H,20,21)