3-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: 3-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: 3-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 3-[[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoate Formula: C14H12N3O4S- MolecularWeight: 318.32778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C14H13N3O4S/c1-8-5-11(18)17-14(15-8)22-7-12(19)16-10-4-2-3-9(6-10)13(20)21/h2-6H,7H2,1H3,(H,16,19)(H,20,21)(H,15,17,18)/p-1