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

Systemtic Name: ethyl 6-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H30N2O5S2/c1-4-31-24(28)21-18-12-9-16(3)14-20(18)32-23(21)25-22(27)19-6-5-13-26(19)33(29,30)17-10-7-15(2)8-11-17/h7-8,10-11,16,19H,4-6,9,12-14H2,1-3H3,(H,25,27)