7-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylic acid

Systemtic Name: 7-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-4-oxidanylidene-2-sulfanylidene-pyrido[2,3-d]pyrimidine-5-carboxylic acid Openeye Name: 7-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-4-oxo-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylic acid CAS Name: 7-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-4-oxo-2-sulfanylidene-5-pyrido[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 7-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylic acid Traditional Name: 7-(1,3-benzodioxol-5-yl)-4-keto-1-(2-methoxyethyl)-2-thioxo-pyrido[2,3-d]pyrimidine-5-carboxylic acid Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C(=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)O)C(=O)NC1=S

Isomeric SMILES

COCCN1C2=C(C(=CC(=N2)C3=CC4=C(C=C3)OCO4)C(=O)O)C(=O)NC1=S

InChI

InChI=1S/C18H15N3O6S/c1-25-5-4-21-15-14(16(22)20-18(21)28)10(17(23)24)7-11(19-15)9-2-3-12-13(6-9)27-8-26-12/h2-3,6-7H,4-5,8H2,1H3,(H,23,24)(H,20,22,28)