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

Systemtic Name: 4-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[3-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylpropanoylamino]benzoic acid CAS Name: 4-[[3-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[3-[(4-keto-3-methyl-quinazolin-2-yl)thio]propanoylamino]benzoic acid Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17N3O4S/c1-22-17(24)14-4-2-3-5-15(14)21-19(22)27-11-10-16(23)20-13-8-6-12(7-9-13)18(25)26/h2-9H,10-11H2,1H3,(H,20,23)(H,25,26)