ethyl 3-acetyloxy-6-bromanyl-2-[(2-cyano-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)methylsulfanyl]-1-methyl-indole-5-carboxylate

Systemtic Name: ethyl 3-acetyloxy-6-bromanyl-2-[(2-cyano-5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl)methylsulfanyl]-1-methyl-indole-5-carboxylate Openeye Name: ethyl 3-acetoxy-6-bromo-2-[(2-cyano-5,5-dimethyl-3-oxo-cyclohexen-1-yl)methylsulfanyl]-1-methyl-indole-5-carboxylate CAS Name: 3-acetyloxy-6-bromo-2-[(2-cyano-5,5-dimethyl-3-oxo-1-cyclohexenyl)methylthio]-1-methyl-5-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-acetyloxy-6-bromo-2-[(2-cyano-5,5-dimethyl-3-oxocyclohexen-1-yl)methylsulfanyl]-1-methylindole-5-carboxylate Traditional Name: 3-acetoxy-6-bromo-2-[(2-cyano-3-keto-5,5-dimethyl-cyclohexen-1-yl)methylthio]-1-methyl-indole-5-carboxylic acid ethyl ester Formula: C24H25BrN2O5S MolecularWeight: 533.4347

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C2C(=C1)C(=C(N2C)SCC3=C(C(=O)CC(C3)(C)C)C#N)OC(=O)C)Br

Isomeric SMILES

CCOC(=O)C1=C(C=C2C(=C1)C(=C(N2C)SCC3=C(C(=O)CC(C3)(C)C)C#N)OC(=O)C)Br

InChI

InChI=1S/C24H25BrN2O5S/c1-6-31-23(30)15-7-16-19(8-18(15)25)27(5)22(21(16)32-13(2)28)33-12-14-9-24(3,4)10-20(29)17(14)11-26/h7-8H,6,9-10,12H2,1-5H3