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

Systemtic Name: ethyl 6-bromanyl-1-butyl-5-methoxy-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-butyl-5-methoxy-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-butyl-5-methoxy-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-butyl-5-methoxy-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-butyl-5-methoxy-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C23H26BrNO3S MolecularWeight: 476.42644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC(=C(C=C2C(=C1CSC3=CC=CC=C3)C(=O)OCC)OC)Br

Isomeric SMILES

CCCCN1C2=CC(=C(C=C2C(=C1CSC3=CC=CC=C3)C(=O)OCC)OC)Br

InChI

InChI=1S/C23H26BrNO3S/c1-4-6-12-25-19-14-18(24)21(27-3)13-17(19)22(23(26)28-5-2)20(25)15-29-16-10-8-7-9-11-16/h7-11,13-14H,4-6,12,15H2,1-3H3