ethyl 4-[[4-[(6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,7-dihydro-2-benzothiophen-1-yl)carbonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[4-[(6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,7-dihydro-2-benzothiophen-1-yl)carbonylamino]piperidin-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[4-[(6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[4-[[[6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophen-1-yl]-oxomethyl]amino]-4-piperidinyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[4-[[4-keto-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophene-1-carbonyl]amino]isonipecotoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C26H38N4O5S2 MolecularWeight: 550.73372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C3=C4CC(CC(=O)C4=C(S3)SC)(C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2(CCNCC2)NC(=O)C3=C4CC(CC(=O)C4=C(S3)SC)(C)C

InChI

InChI=1S/C26H38N4O5S2/c1-5-35-24(34)30-12-6-16(7-13-30)28-23(33)26(8-10-27-11-9-26)29-21(32)20-17-14-25(2,3)15-18(31)19(17)22(36-4)37-20/h16,27H,5-15H2,1-4H3,(H,28,33)(H,29,32)