2-[(5-methyl-1H-indol-2-yl)sulfanyl]-2-phenyl-propanoic acid

Systemtic Name: 2-[(5-methyl-1H-indol-2-yl)sulfanyl]-2-phenyl-propanoic acid Openeye Name: 2-[(5-methyl-1H-indol-2-yl)sulfanyl]-2-phenyl-propanoic acid CAS Name: 2-[(5-methyl-1H-indol-2-yl)thio]-2-phenylpropanoic acid IUPAC Name: 2-[(5-methyl-1H-indol-2-yl)sulfanyl]-2-phenylpropanoic acid Traditional Name: 2-[(5-methyl-1H-indol-2-yl)thio]-2-phenyl-propionic acid Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2)SC(C)(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2)SC(C)(C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H17NO2S/c1-12-8-9-15-13(10-12)11-16(19-15)22-18(2,17(20)21)14-6-4-3-5-7-14/h3-11,19H,1-2H3,(H,20,21)