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

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanyl-5-methoxycarbonyl-2-methyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanyl-5-methoxycarbonyl-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[3-[(4-chlorophenyl)thio]-5-methoxycarbonyl-2-methyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanyl-5-methoxycarbonyl-2-methylindol-1-yl]acetic acid Traditional Name: 2-[5-carbomethoxy-3-[(4-chlorophenyl)thio]-2-methyl-indol-1-yl]acetic acid Formula: C19H16ClNO4S MolecularWeight: 389.85264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClNO4S/c1-11-18(26-14-6-4-13(20)5-7-14)15-9-12(19(24)25-2)3-8-16(15)21(11)10-17(22)23/h3-9H,10H2,1-2H3,(H,22,23)