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

Systemtic Name: ethyl 6-bromanyl-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-methoxy-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-methoxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-methoxy-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C20H20BrNO3S MolecularWeight: 434.3467

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C)CSC3=CC=CC=C3

InChI

InChI=1S/C20H20BrNO3S/c1-4-25-20(23)19-14-10-18(24-3)15(21)11-16(14)22(2)17(19)12-26-13-8-6-5-7-9-13/h5-11H,4,12H2,1-3H3