methyl 5-bromanyl-6-(methylsulfanylmethyl)-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: methyl 5-bromanyl-6-(methylsulfanylmethyl)-1-(phenylmethyl)indole-3-carboxylate Openeye Name: methyl 1-benzyl-5-bromo-6-(methylsulfanylmethyl)indole-3-carboxylate CAS Name: 5-bromo-6-[(methylthio)methyl]-1-(phenylmethyl)-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-5-bromo-6-(methylsulfanylmethyl)indole-3-carboxylate Traditional Name: 1-benzyl-5-bromo-6-[(methylthio)methyl]indole-3-carboxylic acid methyl ester Formula: C19H18BrNO2S MolecularWeight: 404.32072

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C2=CC(=C(C=C21)Br)CSC)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CN(C2=CC(=C(C=C21)Br)CSC)CC3=CC=CC=C3

InChI

InChI=1S/C19H18BrNO2S/c1-23-19(22)16-11-21(10-13-6-4-3-5-7-13)18-8-14(12-24-2)17(20)9-15(16)18/h3-9,11H,10,12H2,1-2H3