ethyl 2-[[2-(4-tert-butylphenyl)-2-oxidanylidene-1-piperidin-4-yl-ethyl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-(4-tert-butylphenyl)-2-oxidanylidene-1-piperidin-4-yl-ethyl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-tert-butylphenyl)-2-oxo-1-(4-piperidyl)ethyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[2-(4-tert-butylphenyl)-2-oxo-1-(4-piperidinyl)ethyl]amino]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-tert-butylphenyl)-2-oxo-1-piperidin-4-ylethyl]carbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-tert-butylphenyl)-2-keto-1-(4-piperidyl)ethyl]carbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C29H39N3O4S MolecularWeight: 525.70266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC(C3CCNCC3)C(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NC(C3CCNCC3)C(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H39N3O4S/c1-5-36-27(34)23-21-8-6-7-9-22(21)37-26(23)32-28(35)31-24(18-14-16-30-17-15-18)25(33)19-10-12-20(13-11-19)29(2,3)4/h10-13,18,24,30H,5-9,14-17H2,1-4H3,(H2,31,32,35)