ethyl 3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[(Z)-1,3-benzodioxol-5-ylmethyleneamino]-2,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-2,5-dimethyl-3-[(Z)-piperonylideneamino]thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)N=CC3=CC4=C(C=C3)OCO4)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N(C2=O)/N=C\C3=CC4=C(C=C3)OCO4)C)C

InChI

InChI=1S/C19H17N3O5S/c1-4-25-19(24)16-10(2)15-17(28-16)21-11(3)22(18(15)23)20-8-12-5-6-13-14(7-12)27-9-26-13/h5-8H,4,9H2,1-3H3/b20-8-