2-[[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxidanylidene-propanoyl]amino]benzoic acid

Systemtic Name: 2-[[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxidanylidene-propanoyl]amino]benzoic acid Openeye Name: 2-[[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-propanoyl]amino]benzoic acid CAS Name: 2-[[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1,3-dioxopropyl]amino]benzoic acid IUPAC Name: 2-[[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropanoyl]amino]benzoic acid Traditional Name: 2-[[3-keto-3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]propanoyl]amino]benzoic acid Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)CC(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=NN=C(S1)NC(=O)CC(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H12N4O4S/c1-7-16-17-13(22-7)15-11(19)6-10(18)14-9-5-3-2-4-8(9)12(20)21/h2-5H,6H2,1H3,(H,14,18)(H,20,21)(H,15,17,19)