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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[[3-cyano-6-(4-methylpent-3-enyl)pyridin-2-yl]sulfanylmethyl]-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[[3-cyano-6-(4-methylpent-3-enyl)-2-pyridyl]sulfanylmethyl]-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[[[3-cyano-6-(4-methylpent-3-enyl)-2-pyridinyl]thio]methyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[[3-cyano-6-(4-methylpent-3-enyl)pyridin-2-yl]sulfanylmethyl]-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[[[3-cyano-6-(4-methylpent-3-enyl)-2-pyridyl]thio]methyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C27H28BrN3O4S MolecularWeight: 570.49792

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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)CCC=C(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)CCC=C(C)C)C#N

InChI

InChI=1S/C27H28BrN3O4S/c1-6-34-27(33)25-20-12-24(35-17(4)32)21(28)13-22(20)31(5)23(25)15-36-26-18(14-29)10-11-19(30-26)9-7-8-16(2)3/h8,10-13H,6-7,9,15H2,1-5H3