1-(carboxymethyl)-3-(4-chlorophenyl)sulfanyl-2-methyl-indole-5-carboxylic acid

Systemtic Name: 1-(carboxymethyl)-3-(4-chlorophenyl)sulfanyl-2-methyl-indole-5-carboxylic acid Openeye Name: 1-(carboxymethyl)-3-(4-chlorophenyl)sulfanyl-2-methyl-indole-5-carboxylic acid CAS Name: 1-(carboxymethyl)-3-[(4-chlorophenyl)thio]-2-methyl-5-indolecarboxylic acid IUPAC Name: 1-(carboxymethyl)-3-(4-chlorophenyl)sulfanyl-2-methylindole-5-carboxylic acid Traditional Name: 1-(carboxymethyl)-3-[(4-chlorophenyl)thio]-2-methyl-indole-5-carboxylic acid Formula: C18H14ClNO4S MolecularWeight: 375.82606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClNO4S/c1-10-17(25-13-5-3-12(19)4-6-13)14-8-11(18(23)24)2-7-15(14)20(10)9-16(21)22/h2-8H,9H2,1H3,(H,21,22)(H,23,24)