diethyl (1S,2S,3S)-3-(4-methoxyphenyl)-1-methylsulfanyl-cyclopropane-1,2-dicarboxylate

Systemtic Name: diethyl (1S,2S,3S)-3-(4-methoxyphenyl)-1-methylsulfanyl-cyclopropane-1,2-dicarboxylate Openeye Name: diethyl (1S,2S,3S)-3-(4-methoxyphenyl)-1-methylsulfanyl-cyclopropane-1,2-dicarboxylate CAS Name: (1S,2S,3S)-3-(4-methoxyphenyl)-1-(methylthio)cyclopropane-1,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2S,3S)-3-(4-methoxyphenyl)-1-methylsulfanylcyclopropane-1,2-dicarboxylate Traditional Name: (1S,2S,3S)-3-(4-methoxyphenyl)-1-(methylthio)cyclopropane-1,2-dicarboxylic acid diethyl ester Formula: C17H22O5S MolecularWeight: 338.41858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C1(C(=O)OCC)SC)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H]([C@]1(C(=O)OCC)SC)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H22O5S/c1-5-21-15(18)14-13(11-7-9-12(20-3)10-8-11)17(14,23-4)16(19)22-6-2/h7-10,13-14H,5-6H2,1-4H3/t13-,14+,17+/m1/s1