2-[(E)-2-(4-ethylphenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-[(E)-2-(4-ethylphenyl)ethenyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(E)-2-(4-ethylphenyl)vinyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(E)-2-(4-ethylphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(E)-2-(4-ethylphenyl)ethenyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(E)-2-(4-ethylphenyl)vinyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C18H15N2O3S- MolecularWeight: 339.3883

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=CC2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2

Isomeric SMILES

CCC1=CC=C(C=C1)/C=C/C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=O)N2

InChI

InChI=1S/C18H16N2O3S/c1-3-11-4-6-12(7-5-11)8-9-13-19-16(21)14-10(2)15(18(22)23)24-17(14)20-13/h4-9H,3H2,1-2H3,(H,22,23)(H,19,20,21)/p-1/b9-8+