methyl 3-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H18ClN3O4S/c1-3-9-25-19(27)16-8-7-14(22)11-17(16)24-21(25)30-12-18(26)23-15-6-4-5-13(10-15)20(28)29-2/h3-8,10-11H,1,9,12H2,2H3,(H,23,26)