phenethyl 3-[(4-ethoxycarbonylphenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 3-[(4-ethoxycarbonylphenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[(4-ethoxycarbonylphenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(4-ethoxycarbonylphenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-[(4-ethoxycarbonylphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(4-carbethoxybenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C26H24N2O5S MolecularWeight: 476.54416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C26H24N2O5S/c1-3-32-25(30)20-11-9-19(10-12-20)15-28-16-27-23-21(24(28)29)17(2)22(34-23)26(31)33-14-13-18-7-5-4-6-8-18/h4-12,16H,3,13-15H2,1-2H3