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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H19N3O4S/c1-23-18(25)13-7-3-5-9-15(13)22-20(23)28-12-11-17(24)21-16-10-6-4-8-14(16)19(26)27-2/h3-10H,11-12H2,1-2H3,(H,21,24)