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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[(3-cyano-6-methyl-pyridin-2-yl)sulfanylmethyl]-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[(3-cyano-6-methyl-2-pyridyl)sulfanylmethyl]-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[[(3-cyano-6-methyl-2-pyridinyl)thio]methyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[(3-cyano-6-methylpyridin-2-yl)sulfanylmethyl]-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[[(3-cyano-6-methyl-2-pyridyl)thio]methyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C22H20BrN3O4S MolecularWeight: 502.3809

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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)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)C)C#N

InChI

InChI=1S/C22H20BrN3O4S/c1-5-29-22(28)20-15-8-19(30-13(3)27)16(23)9-17(15)26(4)18(20)11-31-21-14(10-24)7-6-12(2)25-21/h6-9H,5,11H2,1-4H3