[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]ethanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 2-[(2-methylthiazol-4-yl)methylsulfanyl]acetate CAS Name: 2-[(2-methyl-4-thiazolyl)methylthio]acetic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]acetic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CC1=NC(=CS1)CSCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C18H16N4O3S2/c1-12-20-13(10-27-12)9-26-11-17(23)25-8-16-21-15-5-3-2-4-14(15)18(24)22(16)7-6-19/h2-5,10H,7-9,11H2,1H3