prop-2-enyl 2-[(3-chlorophenyl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: prop-2-enyl 2-[(3-chlorophenyl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: allyl 2-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(3-chlorobenzyl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid allyl ester Formula: C18H15ClN2O3S MolecularWeight: 374.8413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC(=CC=C3)Cl)C(=O)OCC=C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC(=CC=C3)Cl)C(=O)OCC=C

InChI

InChI=1S/C18H15ClN2O3S/c1-3-7-24-18(23)15-10(2)14-16(22)20-13(21-17(14)25-15)9-11-5-4-6-12(19)8-11/h3-6,8H,1,7,9H2,2H3,(H,20,21,22)