2-chloranyl-5-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 2-chloro-5-[[2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 2-chloro-5-[[1-oxo-2-[(4-oxo-1H-quinazolin-2-yl)thio]ethyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 2-chloro-5-[[2-[(4-keto-1H-quinazolin-2-yl)thio]acetyl]amino]benzoic acid Formula: C17H12ClN3O4S MolecularWeight: 389.81288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N=C(N2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C17H12ClN3O4S/c18-12-6-5-9(7-11(12)16(24)25)19-14(22)8-26-17-20-13-4-2-1-3-10(13)15(23)21-17/h1-7H,8H2,(H,19,22)(H,24,25)(H,20,21,23)