(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C21H20ClN3O4S/c1-12(2)23-19(26)11-30-17-6-4-3-5-15(17)21(28)29-10-18-24-16-9-13(22)7-8-14(16)20(27)25-18/h3-9,12H,10-11H2,1-2H3,(H,23,26)(H,24,25,27)