methyl 2-[2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]acetic acid methyl ester Formula: C16H18ClN3O4S MolecularWeight: 383.84982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCC(=O)OC

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCC(=O)OC

InChI

InChI=1S/C16H18ClN3O4S/c1-9(2)20-15(23)11-5-4-10(17)6-12(11)19-16(20)25-8-13(21)18-7-14(22)24-3/h4-6,9H,7-8H2,1-3H3,(H,18,21)