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

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanyl-4-cyano-2,5-dimethyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanyl-4-cyano-2,5-dimethyl-indol-1-yl]acetic acid CAS Name: 2-[3-[(4-chlorophenyl)thio]-4-cyano-2,5-dimethyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanyl-4-cyano-2,5-dimethylindol-1-yl]acetic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]-4-cyano-2,5-dimethyl-indol-1-yl]acetic acid Formula: C19H15ClN2O2S MolecularWeight: 370.8526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N(C(=C2SC3=CC=C(C=C3)Cl)C)CC(=O)O)C#N

Isomeric SMILES

CC1=C(C2=C(C=C1)N(C(=C2SC3=CC=C(C=C3)Cl)C)CC(=O)O)C#N

InChI

InChI=1S/C19H15ClN2O2S/c1-11-3-8-16-18(15(11)9-21)19(12(2)22(16)10-17(23)24)25-14-6-4-13(20)5-7-14/h3-8H,10H2,1-2H3,(H,23,24)