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

Systemtic Name: 4-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]amino]-4-keto-butyric acid Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CCC(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CCC(=O)O

InChI

InChI=1S/C16H19N3O3S/c1-16(2,3)11-6-4-10(5-7-11)14-18-19-15(23-14)17-12(20)8-9-13(21)22/h4-7H,8-9H2,1-3H3,(H,21,22)(H,17,19,20)