ethyl 2-[[(E)-4-cyano-5-ethoxy-3-methyl-5-oxidanylidene-pent-3-enoyl]amino]-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-4-cyano-5-ethoxy-3-methyl-5-oxidanylidene-pent-3-enoyl]amino]-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-4-cyano-5-ethoxy-3-methyl-5-oxo-pent-3-enoyl]amino]-5,5-dimethyl-7-oxo-4,6-dihydrobenzothiophene-3-carboxylate CAS Name: 2-[[(E)-4-cyano-5-ethoxy-3-methyl-1,5-dioxopent-3-enyl]amino]-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-4-cyano-5-ethoxy-3-methyl-5-oxopent-3-enoyl]amino]-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(E)-4-cyano-5-ethoxy-5-keto-3-methyl-pent-3-enoyl]amino]-7-keto-5,5-dimethyl-4,6-dihydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(CC2=O)(C)C)NC(=O)CC(=C(C#N)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(CC2=O)(C)C)NC(=O)C/C(=C(\C#N)/C(=O)OCC)/C

InChI

InChI=1S/C22H26N2O6S/c1-6-29-20(27)14(11-23)12(3)8-16(26)24-19-17(21(28)30-7-2)13-9-22(4,5)10-15(25)18(13)31-19/h6-10H2,1-5H3,(H,24,26)/b14-12+