ethyl 7-acetyloxy-8-methoxy-4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxylate; 4-methylbenzenesulfonic acid

Systemtic Name: ethyl 7-acetyloxy-8-methoxy-4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxylate; 4-methylbenzenesulfonic acid Openeye Name: ethyl 7-acetoxy-8-methoxy-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate; 4-methylbenzenesulfonic acid CAS Name: 7-acetyloxy-8-methoxy-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid ethyl ester; 4-methylbenzenesulfonic acid IUPAC Name: ethyl 7-acetyloxy-8-methoxy-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate; 4-methylbenzenesulfonic acid Traditional Name: 7-acetoxy-4-keto-8-methoxy-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid ethyl ester; tosylic acid Formula: C24H23N3O9S MolecularWeight: 529.51912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=O)C2=C(N1)N=C3C=C(C(=CC3=C2)OC(=O)C)OC.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=NC(=O)C2=C(N1)N=C3C=C(C(=CC3=C2)OC(=O)C)OC.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C17H15N3O6.C7H8O3S/c1-4-25-17(23)15-19-14-10(16(22)20-15)5-9-6-13(26-8(2)21)12(24-3)7-11(9)18-14;1-6-2-4-7(5-3-6)11(8,9)10/h5-7H,4H2,1-3H3,(H,18,19,20,22);2-5H,1H3,(H,8,9,10)