4-[(E)-2-(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]benzoic acid

Systemtic Name: 4-[(E)-2-(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]benzoic acid Openeye Name: 4-[(E)-2-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)vinyl]benzoic acid CAS Name: 4-[(E)-2-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]benzoic acid IUPAC Name: 4-[(E)-2-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethenyl]benzoic acid Traditional Name: 4-[(E)-2-(6-carbethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)vinyl]benzoic acid Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C=CC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)/C=C/C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C19H16N2O5S/c1-3-26-19(25)15-10(2)14-16(22)20-13(21-17(14)27-15)9-6-11-4-7-12(8-5-11)18(23)24/h4-9H,3H2,1-2H3,(H,23,24)(H,20,21,22)/b9-6+