3-[(2-acetamido-1,3-thiazol-4-yl)carbonylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[(2-acetamido-1,3-thiazol-4-yl)carbonylamino]-4-methyl-benzoic acid Openeye Name: 3-[(2-acetamidothiazole-4-carbonyl)amino]-4-methyl-benzoic acid CAS Name: 3-[[(2-acetamido-4-thiazolyl)-oxomethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-methylbenzoic acid Traditional Name: 3-[(2-acetamidothiazole-4-carbonyl)amino]-4-methyl-benzoic acid Formula: C14H13N3O4S MolecularWeight: 319.33572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CSC(=N2)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CSC(=N2)NC(=O)C

InChI

InChI=1S/C14H13N3O4S/c1-7-3-4-9(13(20)21)5-10(7)16-12(19)11-6-22-14(17-11)15-8(2)18/h3-6H,1-2H3,(H,16,19)(H,20,21)(H,15,17,18)