methyl 3-(cyclohexen-1-yl)-2-phenylsulfanyl-propanoate

Systemtic Name: methyl 3-(cyclohexen-1-yl)-2-phenylsulfanyl-propanoate Openeye Name: methyl 3-(cyclohexen-1-yl)-2-phenylsulfanyl-propanoate CAS Name: 3-(1-cyclohexenyl)-2-(phenylthio)propanoic acid methyl ester IUPAC Name: methyl 3-(cyclohexen-1-yl)-2-phenylsulfanylpropanoate Traditional Name: 3-(cyclohexen-1-yl)-2-(phenylthio)propionic acid methyl ester Formula: C16H20O2S MolecularWeight: 276.3938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CCCCC1)SC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC1=CCCCC1)SC2=CC=CC=C2

InChI

InChI=1S/C16H20O2S/c1-18-16(17)15(12-13-8-4-2-5-9-13)19-14-10-6-3-7-11-14/h3,6-8,10-11,15H,2,4-5,9,12H2,1H3