ethyl 6-bromanyl-5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-1-phenyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-1-phenyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-1-phenyl-2-(p-tolylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-2-[[(4-methylphenyl)thio]methyl]-1-phenyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-2-[(4-methylphenyl)sulfanylmethyl]-1-phenylindole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-1-phenyl-2-[(p-tolylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C26H24BrNO3S MolecularWeight: 510.44266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CSC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CSC4=CC=C(C=C4)C

InChI

InChI=1S/C26H24BrNO3S/c1-4-31-26(29)25-20-14-24(30-3)21(27)15-22(20)28(18-8-6-5-7-9-18)23(25)16-32-19-12-10-17(2)11-13-19/h5-15H,4,16H2,1-3H3