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

Systemtic Name: 2-[5-acetamido-3-(4-chlorophenyl)sulfanyl-2-methyl-indol-1-yl]ethanoic acid Openeye Name: 2-[5-acetamido-3-(4-chlorophenyl)sulfanyl-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[5-acetamido-3-[(4-chlorophenyl)thio]-2-methyl-1-indolyl]acetic acid IUPAC Name: 2-[5-acetamido-3-(4-chlorophenyl)sulfanyl-2-methylindol-1-yl]acetic acid Traditional Name: 2-[5-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(=C2)NC(=O)C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

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