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

Systemtic Name: methyl 6-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[(1-tosylprolyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C23H28N2O5S2 MolecularWeight: 476.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H28N2O5S2/c1-14-6-9-16(10-7-14)32(28,29)25-12-4-5-18(25)21(26)24-22-20(23(27)30-3)17-11-8-15(2)13-19(17)31-22/h6-7,9-10,15,18H,4-5,8,11-13H2,1-3H3,(H,24,26)