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

Systemtic Name: ethyl 2-[(1-cyclohexyl-5-oxidanylidene-pyrrolidin-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(1-cyclohexyl-5-oxo-pyrrolidine-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(1-cyclohexyl-5-oxo-3-pyrrolidinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-cyclohexyl-5-keto-pyrrolidine-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC(=O)N(C3)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC(=O)N(C3)C4CCCCC4

InChI

InChI=1S/C22H30N2O4S/c1-2-28-22(27)19-16-10-6-7-11-17(16)29-21(19)23-20(26)14-12-18(25)24(13-14)15-8-4-3-5-9-15/h14-15H,2-13H2,1H3,(H,23,26)