ethyl 6-bromanyl-2-[[5-[(E)-but-2-enyl]-3-cyano-4,6-dimethyl-pyridin-2-yl]sulfanylmethyl]-1-methyl-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-[[5-[(E)-but-2-enyl]-3-cyano-4,6-dimethyl-pyridin-2-yl]sulfanylmethyl]-1-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-2-[[5-[(E)-but-2-enyl]-3-cyano-4,6-dimethyl-2-pyridyl]sulfanylmethyl]-5-hydroxy-1-methyl-indole-3-carboxylate CAS Name: 6-bromo-2-[[[5-[(E)-but-2-enyl]-3-cyano-4,6-dimethyl-2-pyridinyl]thio]methyl]-5-hydroxy-1-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-[[5-[(E)-but-2-enyl]-3-cyano-4,6-dimethylpyridin-2-yl]sulfanylmethyl]-5-hydroxy-1-methylindole-3-carboxylate Traditional Name: 6-bromo-2-[[[5-[(E)-but-2-enyl]-3-cyano-4,6-dimethyl-2-pyridyl]thio]methyl]-5-hydroxy-1-methyl-indole-3-carboxylic acid ethyl ester Formula: C25H26BrN3O3S MolecularWeight: 528.46124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26BrN3O3S/c1-6-8-9-16-14(3)18(12-27)24(28-15(16)4)33-13-21-23(25(31)32-7-2)17-10-22(30)19(26)11-20(17)29(21)5/h6,8,10-11,30H,7,9,13H2,1-5H3/b8-6+