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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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