tert-butyl 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: tert-butyl 2-(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoate Openeye Name: tert-butyl 2-(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]acetic acid tert-butyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CC3

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3CC3

InChI

InChI=1S/C17H20N2O3S/c1-17(2,3)22-14(20)10-23-16-18-13-7-5-4-6-12(13)15(21)19(16)11-8-9-11/h4-7,11H,8-10H2,1-3H3