3-[(2-carboxy-1H-indol-3-yl)-(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(2-carboxy-1H-indol-3-yl)-(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[(2-carboxy-1H-indol-3-yl)-(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxylic acid CAS Name: 3-[(2-carboxy-1H-indol-3-yl)-[4-(methylthio)phenyl]methyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[(2-carboxy-1H-indol-3-yl)-(4-methylsulfanylphenyl)methyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[(2-carboxy-1H-indol-3-yl)-[4-(methylthio)phenyl]methyl]-1H-indole-2-carboxylic acid Formula: C26H20N2O4S MolecularWeight: 456.513

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=C(NC3=CC=CC=C32)C(=O)O)C4=C(NC5=CC=CC=C54)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=C(NC3=CC=CC=C32)C(=O)O)C4=C(NC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C26H20N2O4S/c1-33-15-12-10-14(11-13-15)20(21-16-6-2-4-8-18(16)27-23(21)25(29)30)22-17-7-3-5-9-19(17)28-24(22)26(31)32/h2-13,20,27-28H,1H3,(H,29,30)(H,31,32)