2-[6-chloranyl-7-methyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[6-chloranyl-7-methyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-[6-chloro-7-methyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid CAS Name: 2-[6-chloro-7-methyl-2-[4-(methylthio)phenyl]-1H-indol-3-yl]acetic acid IUPAC Name: 2-[6-chloro-7-methyl-2-(4-methylsulfanylphenyl)-1H-indol-3-yl]acetic acid Traditional Name: 2-[6-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=C(C=CC2=C1NC(=C2CC(=O)O)C3=CC=C(C=C3)SC)Cl

Isomeric SMILES

CC1=C(C=CC2=C1NC(=C2CC(=O)O)C3=CC=C(C=C3)SC)Cl

InChI

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