2-[(2S,3R)-3-methyl-4-phenylsulfanyl-butan-2-yl]oxycarbonylbenzoic acid

Systemtic Name: 2-[(2S,3R)-3-methyl-4-phenylsulfanyl-butan-2-yl]oxycarbonylbenzoic acid Openeye Name: 2-[(1S,2R)-1,2-dimethyl-3-phenylsulfanyl-propoxy]carbonylbenzoic acid CAS Name: 2-[[(2S,3R)-3-methyl-4-(phenylthio)butan-2-yl]oxy-oxomethyl]benzoic acid IUPAC Name: 2-[(2S,3R)-3-methyl-4-phenylsulfanylbutan-2-yl]oxycarbonylbenzoic acid Traditional Name: 2-[(1S,2R)-1,2-dimethyl-3-(phenylthio)propoxy]carbonylbenzoic acid Formula: C19H20O4S MolecularWeight: 344.4247

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1)C(C)OC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C[C@@H](CSC1=CC=CC=C1)[C@H](C)OC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C19H20O4S/c1-13(12-24-15-8-4-3-5-9-15)14(2)23-19(22)17-11-7-6-10-16(17)18(20)21/h3-11,13-14H,12H2,1-2H3,(H,20,21)/t13-,14-/m0/s1