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

Systemtic Name: 2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methyl-indol-1-yl]ethanoic acid Openeye Name: 2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[4-acetamido-3-[(4-chlorophenyl)thio]-2-methyl-1-indolyl]acetic acid IUPAC Name: 2-[4-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid Traditional Name: 2-[4-acetamido-3-[(4-chlorophenyl)thio]-2-methyl-indol-1-yl]acetic acid Formula: C19H17ClN2O3S MolecularWeight: 388.86788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NC(=O)C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC=C2NC(=O)C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H17ClN2O3S/c1-11-19(26-14-8-6-13(20)7-9-14)18-15(21-12(2)23)4-3-5-16(18)22(11)10-17(24)25/h3-9H,10H2,1-2H3,(H,21,23)(H,24,25)