3-[(4-methylsulfanylphenyl)methyl]-4-oxidanyl-indole-1-carboxylic acid

Systemtic Name: 3-[(4-methylsulfanylphenyl)methyl]-4-oxidanyl-indole-1-carboxylic acid Openeye Name: 4-hydroxy-3-[(4-methylsulfanylphenyl)methyl]indole-1-carboxylic acid CAS Name: 4-hydroxy-3-[[4-(methylthio)phenyl]methyl]-1-indolecarboxylic acid IUPAC Name: 4-hydroxy-3-[(4-methylsulfanylphenyl)methyl]indole-1-carboxylic acid Traditional Name: 4-hydroxy-3-[4-(methylthio)benzyl]indole-1-carboxylic acid Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CC2=CN(C3=C2C(=CC=C3)O)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)CC2=CN(C3=C2C(=CC=C3)O)C(=O)O

InChI

InChI=1S/C17H15NO3S/c1-22-13-7-5-11(6-8-13)9-12-10-18(17(20)21)14-3-2-4-15(19)16(12)14/h2-8,10,19H,9H2,1H3,(H,20,21)