5-methoxy-3-methylsulfanyl-1-phenyl-indole-2-carboxylic acid

Systemtic Name: 5-methoxy-3-methylsulfanyl-1-phenyl-indole-2-carboxylic acid Openeye Name: 5-methoxy-3-methylsulfanyl-1-phenyl-indole-2-carboxylic acid CAS Name: 5-methoxy-3-(methylthio)-1-phenyl-2-indolecarboxylic acid IUPAC Name: 5-methoxy-3-methylsulfanyl-1-phenylindole-2-carboxylic acid Traditional Name: 5-methoxy-3-(methylthio)-1-phenyl-indole-2-carboxylic acid Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=C2SC)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=C2SC)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H15NO3S/c1-21-12-8-9-14-13(10-12)16(22-2)15(17(19)20)18(14)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,19,20)