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

Systemtic Name: ethyl 2-[[1-(1-tert-butyl-5-oxidanylidene-pyrrolidin-3-yl)carbonylpiperidin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(1-tert-butyl-5-oxo-pyrrolidine-3-carbonyl)piperidine-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-[(1-tert-butyl-5-oxo-3-pyrrolidinyl)-oxomethyl]-4-piperidinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperidine-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-(1-tert-butyl-5-keto-pyrrolidine-3-carbonyl)isonipecotoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H37N3O5S MolecularWeight: 503.65408

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H37N3O5S/c1-5-34-25(33)21-18-8-6-7-9-19(18)35-23(21)27-22(31)16-10-12-28(13-11-16)24(32)17-14-20(30)29(15-17)26(2,3)4/h16-17H,5-15H2,1-4H3,(H,27,31)