methyl (4R)-2-oxidanyl-4-[(E,2S)-4-phenylsulfanylbut-3-en-2-yl]cyclohexane-1-carboxylate

Systemtic Name: methyl (4R)-2-oxidanyl-4-[(E,2S)-4-phenylsulfanylbut-3-en-2-yl]cyclohexane-1-carboxylate Openeye Name: methyl (4R)-2-hydroxy-4-[(E,1S)-1-methyl-3-phenylsulfanyl-allyl]cyclohexanecarboxylate CAS Name: (4R)-2-hydroxy-4-[(E,2S)-4-(phenylthio)but-3-en-2-yl]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (4R)-2-hydroxy-4-[(E,2S)-4-phenylsulfanylbut-3-en-2-yl]cyclohexane-1-carboxylate Traditional Name: (4R)-2-hydroxy-4-[(E,1S)-1-methyl-3-(phenylthio)allyl]cyclohexanecarboxylic acid methyl ester Formula: C18H24O3S MolecularWeight: 320.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CSC1=CC=CC=C1)C2CCC(C(C2)O)C(=O)OC

Isomeric SMILES

C[C@H](/C=C/SC1=CC=CC=C1)[C@@H]2CCC(C(C2)O)C(=O)OC

InChI

InChI=1S/C18H24O3S/c1-13(10-11-22-15-6-4-3-5-7-15)14-8-9-16(17(19)12-14)18(20)21-2/h3-7,10-11,13-14,16-17,19H,8-9,12H2,1-2H3/b11-10+/t13-,14-,16?,17?/m1/s1