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

Systemtic Name: tert-butyl 2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: tert-butyl 2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]acetic acid tert-butyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-21(2,3)26-18(24)14-27-20-22-17-12-8-7-11-16(17)19(25)23(20)13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3