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

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

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

InChI

InChI=1S/C25H26BrN3O4S/c1-6-32-25(31)23-18-10-22(33-15(4)30)19(26)11-20(18)29(5)21(23)13-34-24-16(12-27)7-8-17(28-24)9-14(2)3/h7-8,10-11,14H,6,9,13H2,1-5H3