4-[(Z)-2-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)-3-ethoxy-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: 4-[(Z)-2-(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)-3-ethoxy-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: 4-[(Z)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-ethoxy-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(Z)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-ethoxy-3-oxoprop-1-enyl]benzoate IUPAC Name: 4-[(Z)-2-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)-3-ethoxy-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(Z)-3-ethoxy-3-keto-2-(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)prop-1-enyl]benzoate Formula: C20H17N2O5S- MolecularWeight: 397.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC=C(C=C1)C(=O)[O-])C2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CCOC(=O)/C(=C\C1=CC=C(C=C1)C(=O)[O-])/C2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C20H18N2O5S/c1-4-27-20(26)14(9-12-5-7-13(8-6-12)19(24)25)16-21-17(23)15-10(2)11(3)28-18(15)22-16/h5-9H,4H2,1-3H3,(H,24,25)(H,21,22,23)/p-1/b14-9-