ethyl 5-acetyloxy-6-bromanyl-2-[(6-but-3-enyl-3-cyano-pyridin-2-yl)sulfanylmethyl]-1-methyl-indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[(6-but-3-enyl-3-cyano-pyridin-2-yl)sulfanylmethyl]-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[(6-but-3-enyl-3-cyano-2-pyridyl)sulfanylmethyl]-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[[(6-but-3-enyl-3-cyano-2-pyridinyl)thio]methyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[(6-but-3-enyl-3-cyanopyridin-2-yl)sulfanylmethyl]-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[[(6-but-3-enyl-3-cyano-2-pyridyl)thio]methyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C25H24BrN3O4S MolecularWeight: 542.44476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=C(C=CC(=N3)CCC=C)C#N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=C(C=CC(=N3)CCC=C)C#N

InChI

InChI=1S/C25H24BrN3O4S/c1-5-7-8-17-10-9-16(13-27)24(28-17)34-14-21-23(25(31)32-6-2)18-11-22(33-15(3)30)19(26)12-20(18)29(21)4/h5,9-12H,1,6-8,14H2,2-4H3