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

Systemtic Name: ethyl 2-[[4-[(6,6-dimethyl-3-methylsulfanyl-4-oxidanylidene-5,7-dihydro-2-benzothiophen-1-yl)carbonylamino]piperidin-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: ethyl 2-[[4-[(6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonyl)amino]piperidine-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[[[6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophen-1-yl]-oxomethyl]amino]-4-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(6,6-dimethyl-3-methylsulfanyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carbonyl)amino]piperidine-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-[[4-keto-6,6-dimethyl-3-(methylthio)-5,7-dihydroisobenzothiophene-1-carbonyl]amino]isonipecotoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C29H37N3O5S2 MolecularWeight: 571.75118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)C3=C4CC(CC(=O)C4=C(S3)SC)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2(CCNCC2)NC(=O)C3=C4CC(CC(=O)C4=C(S3)SC)(C)C

InChI

InChI=1S/C29H37N3O5S2/c1-5-37-25(35)20(15-18-9-7-6-8-10-18)31-27(36)29(11-13-30-14-12-29)32-24(34)23-19-16-28(2,3)17-21(33)22(19)26(38-4)39-23/h6-10,20,30H,5,11-17H2,1-4H3,(H,31,36)(H,32,34)