tert-butyl 2-[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[3-(cyanomethyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(cyanomethyl)-4-oxo-2-quinazolinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(cyanomethyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(cyanomethyl)-4-keto-quinazolin-2-yl]thio]acetic acid tert-butyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC#N

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC#N

InChI

InChI=1S/C16H17N3O3S/c1-16(2,3)22-13(20)10-23-15-18-12-7-5-4-6-11(12)14(21)19(15)9-8-17/h4-7H,9-10H2,1-3H3