ethyl 7-(4-methoxyphenyl)sulfanyl-4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxylate

Systemtic Name: ethyl 7-(4-methoxyphenyl)sulfanyl-4-oxidanylidene-1H-pyrimido[4,5-b]quinoline-2-carboxylate Openeye Name: ethyl 7-(4-methoxyphenyl)sulfanyl-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate CAS Name: 7-[(4-methoxyphenyl)thio]-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 7-(4-methoxyphenyl)sulfanyl-4-oxo-1H-pyrimido[4,5-b]quinoline-2-carboxylate Traditional Name: 4-keto-7-[(4-methoxyphenyl)thio]-1H-pyrimido[4,5-b]quinoline-2-carboxylic acid ethyl ester Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=O)C2=C(N1)N=C3C=CC(=CC3=C2)SC4=CC=C(C=C4)OC

Isomeric SMILES

CCOC(=O)C1=NC(=O)C2=C(N1)N=C3C=CC(=CC3=C2)SC4=CC=C(C=C4)OC

InChI

InChI=1S/C21H17N3O4S/c1-3-28-21(26)19-23-18-16(20(25)24-19)11-12-10-15(8-9-17(12)22-18)29-14-6-4-13(27-2)5-7-14/h4-11H,3H2,1-2H3,(H,22,23,24,25)