2-[5-methoxy-7-methyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-methoxy-7-methyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[5-methoxy-7-methyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[5-methoxy-7-methyl-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[5-methoxy-7-methyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-methoxy-7-methyl-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)OC)C(=C(N2)C3=CC=C(C=C3)SC)CC(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1)OC)C(=C(N2)C3=CC=C(C=C3)SC)CC(=O)O

InChI

InChI=1S/C19H19NO3S/c1-11-8-13(23-2)9-15-16(10-17(21)22)19(20-18(11)15)12-4-6-14(24-3)7-5-12/h4-9,20H,10H2,1-3H3,(H,21,22)