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

Systemtic Name: ethyl 5-acetyloxy-6-bromanyl-2-[(6-but-3-enyl-3-cyano-pyridin-2-yl)-sulfanyl-methyl]-1-methyl-indole-3-carboxylate Openeye Name: ethyl 5-acetoxy-6-bromo-2-[(6-but-3-enyl-3-cyano-2-pyridyl)-sulfanyl-methyl]-1-methyl-indole-3-carboxylate CAS Name: 5-acetyloxy-6-bromo-2-[(6-but-3-enyl-3-cyano-2-pyridinyl)-mercaptomethyl]-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyloxy-6-bromo-2-[(6-but-3-enyl-3-cyanopyridin-2-yl)-sulfanylmethyl]-1-methylindole-3-carboxylate Traditional Name: 5-acetoxy-6-bromo-2-[(6-but-3-enyl-3-cyano-2-pyridyl)-mercapto-methyl]-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C25H24BrN3O4S MolecularWeight: 542.44476

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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)C(C3=C(C=CC(=N3)CCC=C)C#N)S

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)C(C3=C(C=CC(=N3)CCC=C)C#N)S

InChI

InChI=1S/C25H24BrN3O4S/c1-5-7-8-16-10-9-15(13-27)22(28-16)24(34)23-21(25(31)32-6-2)17-11-20(33-14(3)30)18(26)12-19(17)29(23)4/h5,9-12,24,34H,1,6-8H2,2-4H3