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

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

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC3=CC=CC=C3C(=O)N2C

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=NC3=CC=CC=C3C(=O)N2C

InChI

InChI=1S/C19H17N3O4S/c1-11(16(23)20-13-7-5-6-12(10-13)18(25)26)27-19-21-15-9-4-3-8-14(15)17(24)22(19)2/h3-11H,1-2H3,(H,20,23)(H,25,26)