methyl 4-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19N3O4S/c1-3-23-18(25)15-6-4-5-7-16(15)22-20(23)28-12-17(24)21-14-10-8-13(9-11-14)19(26)27-2/h4-11H,3,12H2,1-2H3,(H,21,24)