methyl 2-(cyanomethylsulfanyl)-3-(3-methoxypropyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(cyanomethylsulfanyl)-3-(3-methoxypropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(cyanomethylsulfanyl)-3-(3-methoxypropyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(cyanomethylthio)-3-(3-methoxypropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyanomethylsulfanyl)-3-(3-methoxypropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(cyanomethylthio)-4-keto-3-(3-methoxypropyl)quinazoline-7-carboxylic acid methyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC#N

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC#N

InChI

InChI=1S/C16H17N3O4S/c1-22-8-3-7-19-14(20)12-5-4-11(15(21)23-2)10-13(12)18-16(19)24-9-6-17/h4-5,10H,3,7-9H2,1-2H3