ethyl 4-oxidanylidene-3-phenylsulfanyl-4-piperidin-1-yl-butanoate

Systemtic Name: ethyl 4-oxidanylidene-3-phenylsulfanyl-4-piperidin-1-yl-butanoate Openeye Name: ethyl 4-oxo-3-phenylsulfanyl-4-(1-piperidyl)butanoate CAS Name: 4-oxo-3-(phenylthio)-4-(1-piperidinyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-3-phenylsulfanyl-4-piperidin-1-ylbutanoate Traditional Name: 4-keto-3-(phenylthio)-4-piperidino-butyric acid ethyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)N1CCCCC1)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC(C(=O)N1CCCCC1)SC2=CC=CC=C2

InChI

InChI=1S/C17H23NO3S/c1-2-21-16(19)13-15(22-14-9-5-3-6-10-14)17(20)18-11-7-4-8-12-18/h3,5-6,9-10,15H,2,4,7-8,11-13H2,1H3