ethyl 5,5-dimethyl-7-oxidanylidene-2-[(E)-(phenylmethylidene)amino]-4,6-dihydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 5,5-dimethyl-7-oxidanylidene-2-[(E)-(phenylmethylidene)amino]-4,6-dihydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(E)-benzylideneamino]-5,5-dimethyl-7-oxo-4,6-dihydrobenzothiophene-3-carboxylate CAS Name: 5,5-dimethyl-7-oxo-2-[(E)-(phenylmethylene)amino]-4,6-dihydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(E)-benzylideneamino]-5,5-dimethyl-7-oxo-4,6-dihydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(E)-benzalamino]-7-keto-5,5-dimethyl-4,6-dihydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(CC2=O)(C)C)N=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(CC2=O)(C)C)/N=C/C3=CC=CC=C3

InChI

InChI=1S/C20H21NO3S/c1-4-24-19(23)16-14-10-20(2,3)11-15(22)17(14)25-18(16)21-12-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3/b21-12+