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

Systemtic Name: ethyl 2-[[1-(5-oxidanylidene-1-phenyl-pyrrolidin-3-yl)carbonylpiperidin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(5-oxo-1-phenyl-pyrrolidine-3-carbonyl)piperidine-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[1-[oxo-(5-oxo-1-phenyl-3-pyrrolidinyl)methyl]-4-piperidinyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-(5-keto-1-phenyl-pyrrolidine-3-carbonyl)isonipecotoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C28H33N3O5S MolecularWeight: 523.64372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCN(CC3)C(=O)C4CC(=O)N(C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CCN(CC3)C(=O)C4CC(=O)N(C4)C5=CC=CC=C5

InChI

InChI=1S/C28H33N3O5S/c1-2-36-28(35)24-21-10-6-7-11-22(21)37-26(24)29-25(33)18-12-14-30(15-13-18)27(34)19-16-23(32)31(17-19)20-8-4-3-5-9-20/h3-5,8-9,18-19H,2,6-7,10-17H2,1H3,(H,29,33)