ethyl 2-[(4,4-dicyano-3-methyl-but-3-enoyl)amino]-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4,4-dicyano-3-methyl-but-3-enoyl)amino]-5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4,4-dicyano-3-methyl-but-3-enoyl)amino]-5,5-dimethyl-7-oxo-4,6-dihydrobenzothiophene-3-carboxylate CAS Name: 2-[(4,4-dicyano-3-methyl-1-oxobut-3-enyl)amino]-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4,4-dicyano-3-methylbut-3-enoyl)amino]-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4,4-dicyano-3-methyl-but-3-enoyl)amino]-7-keto-5,5-dimethyl-4,6-dihydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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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#N)C

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-5-27-19(26)16-13-7-20(3,4)8-14(24)17(13)28-18(16)23-15(25)6-11(2)12(9-21)10-22/h5-8H2,1-4H3,(H,23,25)