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

Systemtic Name: 4-oxidanylidene-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-sulfo-butanoic acid Openeye Name: 4-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-4-oxo-2-sulfo-butanoic acid CAS Name: 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-sulfobutanoic acid IUPAC Name: 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-sulfobutanoic acid Traditional Name: 4-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-4-keto-2-sulfo-butyric acid Formula: C9H13N3O6S2 MolecularWeight: 323.34602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(S1)NC(=O)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)C1=NN=C(S1)NC(=O)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C9H13N3O6S2/c1-4(2)7-11-12-9(19-7)10-6(13)3-5(8(14)15)20(16,17)18/h4-5H,3H2,1-2H3,(H,14,15)(H,10,12,13)(H,16,17,18)