ethyl 6-bromanyl-5-methoxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-methoxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-phenyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-1-phenyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-1-phenyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C25H22BrNO3S MolecularWeight: 496.41608

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrNO3S/c1-3-30-25(28)24-19-14-23(29-2)20(26)15-21(19)27(17-10-6-4-7-11-17)22(24)16-31-18-12-8-5-9-13-18/h4-15H,3,16H2,1-2H3