3-(carboxymethyl)-2-(4-methylsulfanylphenyl)-1H-indole-5-carboxylic acid

Systemtic Name: 3-(carboxymethyl)-2-(4-methylsulfanylphenyl)-1H-indole-5-carboxylic acid Openeye Name: 3-(carboxymethyl)-2-(4-methylsulfanylphenyl)-1H-indole-5-carboxylic acid CAS Name: 3-(carboxymethyl)-2-[4-(methylthio)phenyl]-1H-indole-5-carboxylic acid IUPAC Name: 3-(carboxymethyl)-2-(4-methylsulfanylphenyl)-1H-indole-5-carboxylic acid Traditional Name: 3-(carboxymethyl)-2-[4-(methylthio)phenyl]-1H-indole-5-carboxylic acid Formula: C18H15NO4S MolecularWeight: 341.381

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CC(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CC(=O)O

InChI

InChI=1S/C18H15NO4S/c1-24-12-5-2-10(3-6-12)17-14(9-16(20)21)13-8-11(18(22)23)4-7-15(13)19-17/h2-8,19H,9H2,1H3,(H,20,21)(H,22,23)