ethyl 5-acetyloxy-6-bromanyl-2-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-1-methyl-indole-3-carboxylate

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanylmethyl]-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylmethyl]-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]methyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C24H24BrN3O4S MolecularWeight: 530.43406

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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=NC(=C(C(=C3C#N)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=NC(=C(C(=C3C#N)C)C)C

InChI

InChI=1S/C24H24BrN3O4S/c1-7-31-24(30)22-16-8-21(32-15(5)29)18(25)9-19(16)28(6)20(22)11-33-23-17(10-26)13(3)12(2)14(4)27-23/h8-9H,7,11H2,1-6H3