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

Systemtic Name: 3-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[(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=C1SC(C)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

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