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

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanyl-5-cyano-2-methyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanyl-5-cyano-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[3-[(4-chlorophenyl)thio]-5-cyano-2-methyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanyl-5-cyano-2-methylindol-1-yl]acetic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]-5-cyano-2-methyl-indol-1-yl]acetic acid Formula: C18H13ClN2O2S MolecularWeight: 356.82602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)C#N)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)C#N)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H13ClN2O2S/c1-11-18(24-14-5-3-13(19)4-6-14)15-8-12(9-20)2-7-16(15)21(11)10-17(22)23/h2-8H,10H2,1H3,(H,22,23)