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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)SCC2=NC3=CC=CC=C3C(=O)N2CC#N

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)SCC2=NC3=CC=CC=C3C(=O)N2CC#N

InChI

InChI=1S/C18H16N4O3S2/c1-2-25-16(23)9-12-10-26-18(20-12)27-11-15-21-14-6-4-3-5-13(14)17(24)22(15)8-7-19/h3-6,10H,2,8-9,11H2,1H3