sodium 1-methoxy-1,4-bis(oxidanylidene)-4-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butane-2-sulfonate

Systemtic Name: sodium 1-methoxy-1,4-bis(oxidanylidene)-4-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butane-2-sulfonate Openeye Name: sodium 1-methoxy-1,4-dioxo-4-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butane-2-sulfonate CAS Name: sodium 1-methoxy-1,4-dioxo-4-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]-2-butanesulfonate IUPAC Name: sodium 1-methoxy-1,4-dioxo-4-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butane-2-sulfonate Traditional Name: sodium 1,4-diketo-1-methoxy-4-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]butane-2-sulfonate Formula: C10H14N3NaO6S2 MolecularWeight: 359.35443

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)CC(C(=O)OC)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)CC(C(=O)OC)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C10H15N3O6S2.Na/c1-3-4-8-12-13-10(20-8)11-7(14)5-6(9(15)19-2)21(16,17)18;/h6H,3-5H2,1-2H3,(H,11,13,14)(H,16,17,18);/q;+1/p-1