4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1-methoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid

Systemtic Name: 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1-methoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid Openeye Name: 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1-methoxy-1,4-dioxo-butane-2-sulfonic acid CAS Name: 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1-methoxy-1,4-dioxo-2-butanesulfonic acid IUPAC Name: 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1-methoxy-1,4-dioxobutane-2-sulfonic acid Traditional Name: 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-1,4-diketo-1-methoxy-butane-2-sulfonic acid Formula: C9H13N3O6S2 MolecularWeight: 323.34602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)CC(C(=O)OC)S(=O)(=O)O

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)CC(C(=O)OC)S(=O)(=O)O

InChI

InChI=1S/C9H13N3O6S2/c1-3-7-11-12-9(19-7)10-6(13)4-5(8(14)18-2)20(15,16)17/h5H,3-4H2,1-2H3,(H,10,12,13)(H,15,16,17)