ethyl 6-bromanyl-1-methyl-5-(3-morpholin-4-yl-2-oxidanyl-propoxy)-2-(phenylsulfanylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-methyl-5-(3-morpholin-4-yl-2-oxidanyl-propoxy)-2-(phenylsulfanylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-(2-hydroxy-3-morpholino-propoxy)-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-[2-hydroxy-3-(4-morpholinyl)propoxy]-1-methyl-2-[(phenylthio)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-(2-hydroxy-3-morpholin-4-ylpropoxy)-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-(2-hydroxy-3-morpholino-propoxy)-1-methyl-2-[(phenylthio)methyl]indole-3-carboxylic acid ethyl ester Formula: C26H31BrN2O5S MolecularWeight: 563.50374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCC(CN3CCOCC3)O)Br)C)CSC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OCC(CN3CCOCC3)O)Br)C)CSC4=CC=CC=C4

InChI

InChI=1S/C26H31BrN2O5S/c1-3-33-26(31)25-20-13-24(34-16-18(30)15-29-9-11-32-12-10-29)21(27)14-22(20)28(2)23(25)17-35-19-7-5-4-6-8-19/h4-8,13-14,18,30H,3,9-12,15-17H2,1-2H3