3-ethyl-2-ethylsulfanyl-4-oxidanylidene-quinazoline-7-carboxylic acid

Systemtic Name: 3-ethyl-2-ethylsulfanyl-4-oxidanylidene-quinazoline-7-carboxylic acid Openeye Name: 3-ethyl-2-ethylsulfanyl-4-oxo-quinazoline-7-carboxylic acid CAS Name: 3-ethyl-2-(ethylthio)-4-oxo-7-quinazolinecarboxylic acid IUPAC Name: 3-ethyl-2-ethylsulfanyl-4-oxoquinazoline-7-carboxylic acid Traditional Name: 3-ethyl-2-(ethylthio)-4-keto-quinazoline-7-carboxylic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SCC

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)O)N=C1SCC

InChI

InChI=1S/C13H14N2O3S/c1-3-15-11(16)9-6-5-8(12(17)18)7-10(9)14-13(15)19-4-2/h5-7H,3-4H2,1-2H3,(H,17,18)