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

Systemtic Name: sodium 4-oxidanylidene-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-sulfo-butanoate Openeye Name: sodium 4-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-4-oxo-2-sulfo-butanoate CAS Name: sodium 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-sulfobutanoate IUPAC Name: sodium 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]-2-sulfobutanoate Traditional Name: sodium 4-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-4-keto-2-sulfo-butyrate Formula: C9H12N3NaO6S2 MolecularWeight: 345.32785

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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.[Na+]

Isomeric SMILES

CC(C)C1=NN=C(S1)NC(=O)CC(C(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C9H13N3O6S2.Na/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);/q;+1/p-1