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

Systemtic Name: sodium 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxidanylidene-2-sulfo-butanoate Openeye Name: sodium 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxo-2-sulfo-butanoate CAS Name: sodium 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxo-2-sulfobutanoate IUPAC Name: sodium 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxo-2-sulfobutanoate Traditional Name: sodium 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-keto-2-sulfo-butyrate Formula: C8H10N3NaO6S2 MolecularWeight: 331.30127

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)CC(C(=O)[O-])S(=O)(=O)O.[Na+]

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)CC(C(=O)[O-])S(=O)(=O)O.[Na+]

InChI

InChI=1S/C8H11N3O6S2.Na/c1-2-6-10-11-8(18-6)9-5(12)3-4(7(13)14)19(15,16)17;/h4H,2-3H2,1H3,(H,13,14)(H,9,11,12)(H,15,16,17);/q;+1/p-1