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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[(6-butyl-3-cyano-pyridin-2-yl)sulfanylmethyl]-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[(6-butyl-3-cyano-2-pyridyl)sulfanylmethyl]-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[[(6-butyl-3-cyano-2-pyridinyl)thio]methyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[(6-butyl-3-cyanopyridin-2-yl)sulfanylmethyl]-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[[(6-butyl-3-cyano-2-pyridyl)thio]methyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C25H26BrN3O4S MolecularWeight: 544.46064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCC2=C(C3=CC(=C(C=C3N2C)Br)OC(=O)C)C(=O)OCC

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCC2=C(C3=CC(=C(C=C3N2C)Br)OC(=O)C)C(=O)OCC

InChI

InChI=1S/C25H26BrN3O4S/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/h9-12H,5-8,14H2,1-4H3