ethyl 7-methylsulfanyl-4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxylate

Systemtic Name: ethyl 7-methylsulfanyl-4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxylate Openeye Name: ethyl 7-methylsulfanyl-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate CAS Name: 7-(methylthio)-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-methylsulfanyl-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate Traditional Name: 4-keto-7-(methylthio)-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid ethyl ester Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=O)C2=C(N1)N=C3C=CC(=CC3=C2)SC

Isomeric SMILES

CCOC(=O)C1=NC(=O)C2=C(N1)N=C3C=CC(=CC3=C2)SC

InChI

InChI=1S/C15H13N3O3S/c1-3-21-15(20)13-17-12-10(14(19)18-13)7-8-6-9(22-2)4-5-11(8)16-12/h4-7H,3H2,1-2H3,(H,16,17,18,19)