5-methyl-4-oxidanylidene-2-[(E)-2-(4-propoxyphenyl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-4-oxidanylidene-2-[(E)-2-(4-propoxyphenyl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 5-methyl-4-oxo-2-[(E)-2-(4-propoxyphenyl)vinyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-4-oxo-2-[(E)-2-(4-propoxyphenyl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid IUPAC Name: 5-methyl-4-oxo-2-[(E)-2-(4-propoxyphenyl)ethenyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-keto-5-methyl-2-[(E)-2-(4-propoxyphenyl)vinyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=CC2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(C(=C(S3)C(=O)O)C)C(=O)N2

InChI

InChI=1S/C19H18N2O4S/c1-3-10-25-13-7-4-12(5-8-13)6-9-14-20-17(22)15-11(2)16(19(23)24)26-18(15)21-14/h4-9H,3,10H2,1-2H3,(H,23,24)(H,20,21,22)/b9-6+