2-[3-(4-chloranyl-2-methyl-phenyl)sulfanyl-2,5-dimethyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-chloranyl-2-methyl-phenyl)sulfanyl-2,5-dimethyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-chloro-2-methyl-phenyl)sulfanyl-2,5-dimethyl-indol-1-yl]acetic acid CAS Name: 2-[3-[(4-chloro-2-methylphenyl)thio]-2,5-dimethyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(4-chloro-2-methylphenyl)sulfanyl-2,5-dimethylindol-1-yl]acetic acid Traditional Name: 2-[3-[(4-chloro-2-methyl-phenyl)thio]-2,5-dimethyl-indol-1-yl]acetic acid Formula: C19H18ClNO2S MolecularWeight: 359.86972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2SC3=C(C=C(C=C3)Cl)C)C)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2SC3=C(C=C(C=C3)Cl)C)C)CC(=O)O

InChI

InChI=1S/C19H18ClNO2S/c1-11-4-6-16-15(8-11)19(13(3)21(16)10-18(22)23)24-17-7-5-14(20)9-12(17)2/h4-9H,10H2,1-3H3,(H,22,23)