4-oxidanylidene-4-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]amino]butanoic acid Openeye Name: 4-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[[5-(phenylmethyl)-1,3,4-thiadiazol-2-yl]amino]butanoic acid IUPAC Name: 4-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-4-keto-butyric acid Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(S2)NC(=O)CCC(=O)O

InChI

InChI=1S/C13H13N3O3S/c17-10(6-7-12(18)19)14-13-16-15-11(20-13)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,18,19)(H,14,16,17)