4-[2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[(4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid Formula: C19H15N3O4S MolecularWeight: 381.4051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)N=C(N2)SCC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H15N3O4S/c23-16-10-15(12-4-2-1-3-5-12)21-19(22-16)27-11-17(24)20-14-8-6-13(7-9-14)18(25)26/h1-10H,11H2,(H,20,24)(H,25,26)(H,21,22,23)