methyl 5-phenylsulfanyl-1H-indole-3-carboxylate

Systemtic Name: methyl 5-phenylsulfanyl-1H-indole-3-carboxylate Openeye Name: methyl 5-phenylsulfanyl-1H-indole-3-carboxylate CAS Name: 5-(phenylthio)-1H-indole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-phenylsulfanyl-1H-indole-3-carboxylate Traditional Name: 5-(phenylthio)-1H-indole-3-carboxylic acid methyl ester Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CNC2=C1C=C(C=C2)SC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CNC2=C1C=C(C=C2)SC3=CC=CC=C3

InChI

InChI=1S/C16H13NO2S/c1-19-16(18)14-10-17-15-8-7-12(9-13(14)15)20-11-5-3-2-4-6-11/h2-10,17H,1H3