methyl 2-oxidanylidene-2-[(1R,3S)-3-(phenylmethylsulfanyl)carbonylcyclohexyl]ethanoate

Systemtic Name: methyl 2-oxidanylidene-2-[(1R,3S)-3-(phenylmethylsulfanyl)carbonylcyclohexyl]ethanoate Openeye Name: methyl 2-[(1R,3S)-3-benzylsulfanylcarbonylcyclohexyl]-2-oxo-acetate CAS Name: 2-oxo-2-[(1R,3S)-3-[oxo-(phenylmethylthio)methyl]cyclohexyl]acetic acid methyl ester IUPAC Name: methyl 2-[(1R,3S)-3-benzylsulfanylcarbonylcyclohexyl]-2-oxoacetate Traditional Name: 2-[(1R,3S)-3-(benzylthio)carbonylcyclohexyl]-2-keto-acetic acid methyl ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=O)C1CCCC(C1)C(=O)SCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(=O)[C@@H]1CCC[C@@H](C1)C(=O)SCC2=CC=CC=C2

InChI

InChI=1S/C17H20O4S/c1-21-16(19)15(18)13-8-5-9-14(10-13)17(20)22-11-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-11H2,1H3/t13-,14+/m1/s1