dimethyl 4-(phenylmethylsulfanyl)-1H-indole-6,7-dicarboxylate

Systemtic Name: dimethyl 4-(phenylmethylsulfanyl)-1H-indole-6,7-dicarboxylate Openeye Name: dimethyl 4-benzylsulfanyl-1H-indole-6,7-dicarboxylate CAS Name: 4-(phenylmethylthio)-1H-indole-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-benzylsulfanyl-1H-indole-6,7-dicarboxylate Traditional Name: 4-(benzylthio)-1H-indole-6,7-dicarboxylic acid dimethyl ester Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C2C=CNC2=C1C(=O)OC)SCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C2C=CNC2=C1C(=O)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C19H17NO4S/c1-23-18(21)14-10-15(25-11-12-6-4-3-5-7-12)13-8-9-20-17(13)16(14)19(22)24-2/h3-10,20H,11H2,1-2H3