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

Systemtic Name: methyl 2-[[1-(3-methylphenyl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[1-(m-tolyl)-5-oxo-pyrrolidine-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(3-methylphenyl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-keto-1-(m-tolyl)pyrrolidine-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CC(CC2=O)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OC

InChI

InChI=1S/C22H24N2O4S/c1-13-6-5-7-15(10-13)24-12-14(11-18(24)25)20(26)23-21-19(22(27)28-2)16-8-3-4-9-17(16)29-21/h5-7,10,14H,3-4,8-9,11-12H2,1-2H3,(H,23,26)