methyl 5-(1,3-benzodioxol-5-yl)-4-oxidanylidene-7-phenyl-2-sulfanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-(1,3-benzodioxol-5-yl)-4-oxidanylidene-7-phenyl-2-sulfanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-(1,3-benzodioxol-5-yl)-4-oxo-7-phenyl-2-thioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-(1,3-benzodioxol-5-yl)-4-oxo-7-phenyl-2-sulfanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-(1,3-benzodioxol-5-yl)-4-oxo-7-phenyl-2-sulfanylidene-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-keto-7-phenyl-2-thioxo-5,8-dihydro-1H-pyrido[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H17N3O5S MolecularWeight: 435.45248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)NC(=S)N2)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(NC2=C(C1C3=CC4=C(C=C3)OCO4)C(=O)NC(=S)N2)C5=CC=CC=C5

InChI

InChI=1S/C22H17N3O5S/c1-28-21(27)16-15(12-7-8-13-14(9-12)30-10-29-13)17-19(24-22(31)25-20(17)26)23-18(16)11-5-3-2-4-6-11/h2-9,15H,10H2,1H3,(H3,23,24,25,26,31)