methyl 2-[2-(1-cyanoethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(1-cyanoethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-(1-cyanoethylsulfanyl)-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-(1-cyanoethylthio)-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1-cyanoethylsulfanyl)-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-(1-cyanoethylthio)-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)SC1=NC2=CC=CC=C2C(=O)N1CC(=O)OC

Isomeric SMILES

CC(C#N)SC1=NC2=CC=CC=C2C(=O)N1CC(=O)OC

InChI

InChI=1S/C14H13N3O3S/c1-9(7-15)21-14-16-11-6-4-3-5-10(11)13(19)17(14)8-12(18)20-2/h3-6,9H,8H2,1-2H3