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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC3=CC=CC(=C3)C(=O)O

InChI

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