3-[2-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-yl)ethanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-(2-azanyl-4-oxidanylidene-1,3-thiazol-5-yl)ethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-(2-amino-4-oxo-thiazol-5-yl)acetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-(2-amino-4-oxo-5-thiazolyl)-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-(2-amino-4-oxo-1,3-thiazol-5-yl)acetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-(2-amino-4-keto-2-thiazolin-5-yl)acetyl]amino]-4-methyl-benzoic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CC2C(=O)N=C(S2)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CC2C(=O)N=C(S2)N

InChI

InChI=1S/C13H13N3O4S/c1-6-2-3-7(12(19)20)4-8(6)15-10(17)5-9-11(18)16-13(14)21-9/h2-4,9H,5H2,1H3,(H,15,17)(H,19,20)(H2,14,16,18)