O-ethyl [(3S,4S)-4-(4-chlorophenyl)-1-ethanoyl-6-oxidanylidene-piperidin-3-yl]methylsulfanylmethanethioate

Systemtic Name: O-ethyl [(3S,4S)-4-(4-chlorophenyl)-1-ethanoyl-6-oxidanylidene-piperidin-3-yl]methylsulfanylmethanethioate Openeye Name: O-ethyl [(3S,4S)-1-acetyl-4-(4-chlorophenyl)-6-oxo-3-piperidyl]methylsulfanylmethanethioate CAS Name: [[(3S,4S)-1-acetyl-4-(4-chlorophenyl)-6-oxo-3-piperidinyl]methylthio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [(3S,4S)-1-acetyl-4-(4-chlorophenyl)-6-oxopiperidin-3-yl]methylsulfanylmethanethioate Traditional Name: [[(3S,4S)-1-acetyl-4-(4-chlorophenyl)-6-keto-3-piperidyl]methylthio]methanethioic acid O-ethyl ester Formula: C17H20ClNO3S2 MolecularWeight: 385.9286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCC1CN(C(=O)CC1C2=CC=C(C=C2)Cl)C(=O)C

Isomeric SMILES

CCOC(=S)SC[C@@H]1CN(C(=O)C[C@@H]1C2=CC=C(C=C2)Cl)C(=O)C

InChI

InChI=1S/C17H20ClNO3S2/c1-3-22-17(23)24-10-13-9-19(11(2)20)16(21)8-15(13)12-4-6-14(18)7-5-12/h4-7,13,15H,3,8-10H2,1-2H3/t13-,15+/m0/s1