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

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

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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(=O)CC(C3)(C)C)C#N

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=C(C(=O)CC(C3)(C)C)C#N

InChI

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