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

Systemtic Name: ethyl 2-[[1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[5-oxo-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(4-methylphenyl)sulfonyl-5-oxo-2-pyrrolidinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-keto-1-tosyl-prolyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H26N2O6S2 MolecularWeight: 490.59234

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCC(=O)N3S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCC(=O)N3S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H26N2O6S2/c1-3-31-23(28)20-16-6-4-5-7-18(16)32-22(20)24-21(27)17-12-13-19(26)25(17)33(29,30)15-10-8-14(2)9-11-15/h8-11,17H,3-7,12-13H2,1-2H3,(H,24,27)