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

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanyl-2,5-dimethyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanyl-2,5-dimethyl-indol-1-yl]acetic acid CAS Name: 2-[3-[(4-chlorophenyl)thio]-2,5-dimethyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanyl-2,5-dimethylindol-1-yl]acetic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]-2,5-dimethyl-indol-1-yl]acetic acid Formula: C18H16ClNO2S MolecularWeight: 345.84314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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