methyl (2R,3R)-3-(cyclohexen-1-yl)-3-(4-methoxyphenyl)sulfanyl-2-methyl-propanoate

Systemtic Name: methyl (2R,3R)-3-(cyclohexen-1-yl)-3-(4-methoxyphenyl)sulfanyl-2-methyl-propanoate Openeye Name: methyl (2R,3R)-3-(cyclohexen-1-yl)-3-(4-methoxyphenyl)sulfanyl-2-methyl-propanoate CAS Name: (2R,3R)-3-(1-cyclohexenyl)-3-[(4-methoxyphenyl)thio]-2-methylpropanoic acid methyl ester IUPAC Name: methyl (2R,3R)-3-(cyclohexen-1-yl)-3-(4-methoxyphenyl)sulfanyl-2-methylpropanoate Traditional Name: (2R,3R)-3-(cyclohexen-1-yl)-3-[(4-methoxyphenyl)thio]-2-methyl-propionic acid methyl ester Formula: C18H24O3S MolecularWeight: 320.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CCCCC1)SC2=CC=C(C=C2)OC)C(=O)OC

Isomeric SMILES

C[C@@H]([C@H](C1=CCCCC1)SC2=CC=C(C=C2)OC)C(=O)OC

InChI

InChI=1S/C18H24O3S/c1-13(18(19)21-3)17(14-7-5-4-6-8-14)22-16-11-9-15(20-2)10-12-16/h7,9-13,17H,4-6,8H2,1-3H3/t13-,17+/m0/s1