ethyl 6-bromanyl-5-methoxy-1-phenyl-2-[(phenylmethylsulfanyl)methyl]indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-methoxy-1-phenyl-2-[(phenylmethylsulfanyl)methyl]indole-3-carboxylate Openeye Name: ethyl 2-(benzylsulfanylmethyl)-6-bromo-5-methoxy-1-phenyl-indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-phenyl-2-[(phenylmethylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzylsulfanylmethyl)-6-bromo-5-methoxy-1-phenylindole-3-carboxylate Traditional Name: 2-[(benzylthio)methyl]-6-bromo-5-methoxy-1-phenyl-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)CSCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CSCC4=CC=CC=C4

InChI

InChI=1S/C26H24BrNO3S/c1-3-31-26(29)25-20-14-24(30-2)21(27)15-22(20)28(19-12-8-5-9-13-19)23(25)17-32-16-18-10-6-4-7-11-18/h4-15H,3,16-17H2,1-2H3