dimethyl (1R,2S)-4-(3-methoxyphenyl)sulfanyl-3-oxidanylidene-cyclohex-4-ene-1,2-dicarboxylate

Systemtic Name: dimethyl (1R,2S)-4-(3-methoxyphenyl)sulfanyl-3-oxidanylidene-cyclohex-4-ene-1,2-dicarboxylate Openeye Name: dimethyl (1R,2S)-4-(3-methoxyphenyl)sulfanyl-3-oxo-cyclohex-4-ene-1,2-dicarboxylate CAS Name: (1R,2S)-4-[(3-methoxyphenyl)thio]-3-oxocyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1R,2S)-4-(3-methoxyphenyl)sulfanyl-3-oxocyclohex-4-ene-1,2-dicarboxylate Traditional Name: (1R,2S)-3-keto-4-[(3-methoxyphenyl)thio]cyclohex-4-ene-1,2-dicarboxylic acid dimethyl ester Formula: C17H18O6S MolecularWeight: 350.38622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=CCC(C(C2=O)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC(=CC=C1)SC2=CC[C@H]([C@@H](C2=O)C(=O)OC)C(=O)OC

InChI

InChI=1S/C17H18O6S/c1-21-10-5-4-6-11(9-10)24-13-8-7-12(16(19)22-2)14(15(13)18)17(20)23-3/h4-6,8-9,12,14H,7H2,1-3H3/t12-,14+/m1/s1