methyl 7-(1,3-benzodioxol-5-yl)-1-ethyl-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate

Systemtic Name: methyl 7-(1,3-benzodioxol-5-yl)-1-ethyl-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylate Openeye Name: methyl 7-(1,3-benzodioxol-5-yl)-1-ethyl-4-oxo-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylate CAS Name: 7-(1,3-benzodioxol-5-yl)-1-ethyl-4-oxo-2-sulfanylidene-5-pyrido[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 7-(1,3-benzodioxol-5-yl)-1-ethyl-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate Traditional Name: 7-(1,3-benzodioxol-5-yl)-1-ethyl-4-keto-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylic acid methyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)OC)C(=O)NC1=S

Isomeric SMILES

CCN1C2=C(C(=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)OC)C(=O)NC1=S

InChI

InChI=1S/C18H15N3O5S/c1-3-21-15-14(16(22)20-18(21)27)10(17(23)24-2)7-11(19-15)9-4-5-12-13(6-9)26-8-25-12/h4-7H,3,8H2,1-2H3,(H,20,22,27)