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

Systemtic Name: 2-[4-chloranyl-7-methyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[4-chloro-7-methyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[4-chloro-7-methyl-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[4-chloro-7-methyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[4-chloro-7-methyl-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid Formula: C18H16ClNO2S MolecularWeight: 345.84314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO2S/c1-10-3-8-14(19)16-13(9-15(21)22)18(20-17(10)16)11-4-6-12(23-2)7-5-11/h3-8,20H,9H2,1-2H3,(H,21,22)