ethyl 4-oxidanylidene-5-[(E)-2-pyridin-4-ylethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-5-[(E)-2-pyridin-4-ylethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-oxo-5-[(E)-2-(4-pyridyl)vinyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-oxo-5-[(E)-2-pyridin-4-ylethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-5-[(E)-2-pyridin-4-ylethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-[(E)-2-(4-pyridyl)vinyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CNC2=O)C=CC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CNC2=O)/C=C/C3=CC=NC=C3

InChI

InChI=1S/C16H13N3O3S/c1-2-22-16(21)13-11(4-3-10-5-7-17-8-6-10)12-14(20)18-9-19-15(12)23-13/h3-9H,2H2,1H3,(H,18,19,20)/b4-3+