ethyl 6-bromanyl-1-methyl-2-[(2-methylphenyl)sulfinylmethyl]-4-(morpholin-4-ylmethyl)-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-methyl-2-[(2-methylphenyl)sulfinylmethyl]-4-(morpholin-4-ylmethyl)-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-1-methyl-4-(morpholinomethyl)-2-(o-tolylsulfinylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-methyl-2-[(2-methylphenyl)sulfinylmethyl]-4-(4-morpholinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-[(2-methylphenyl)sulfinylmethyl]-4-(morpholin-4-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-methyl-4-(morpholinomethyl)-2-(o-tolylsulfinylmethyl)indole-3-carboxylic acid ethyl ester Formula: C25H29BrN2O5S MolecularWeight: 549.47716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCOCC3)O)Br)C)CS(=O)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCOCC3)O)Br)C)CS(=O)C4=CC=CC=C4C

InChI

InChI=1S/C25H29BrN2O5S/c1-4-33-25(30)23-20(15-34(31)21-8-6-5-7-16(21)2)27(3)19-13-18(26)24(29)17(22(19)23)14-28-9-11-32-12-10-28/h5-8,13,29H,4,9-12,14-15H2,1-3H3