(2R)-2-(2,6-dimethylphenyl)carbonylsulfanyl-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-(2,6-dimethylphenyl)carbonylsulfanyl-3-phenyl-propanoic acid Openeye Name: (2R)-2-(2,6-dimethylbenzoyl)sulfanyl-3-phenyl-propanoic acid CAS Name: (2R)-2-[[(2,6-dimethylphenyl)-oxomethyl]thio]-3-phenylpropanoic acid IUPAC Name: (2R)-2-(2,6-dimethylbenzoyl)sulfanyl-3-phenylpropanoic acid Traditional Name: (2R)-2-[(2,6-dimethylbenzoyl)thio]-3-phenyl-propionic acid Formula: C18H18O3S MolecularWeight: 314.39872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(=O)SC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(=O)S[C@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C18H18O3S/c1-12-7-6-8-13(2)16(12)18(21)22-15(17(19)20)11-14-9-4-3-5-10-14/h3-10,15H,11H2,1-2H3,(H,19,20)/t15-/m1/s1