tert-butyl-[(E)-N'-(1,3-thiazol-2-yl)carbamimidoyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: tert-butyl-[(E)-N'-(1,3-thiazol-2-yl)carbamimidoyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: tert-butyl-[(E)-N'-thiazol-2-ylcarbamimidoyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: [(E)-amino(2-thiazolylimino)methyl]-tert-butylammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: tert-butyl-[(E)-N'-(1,3-thiazol-2-yl)carbamimidoyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: tert-butyl-[(E)-N'-thiazol-2-ylamidino]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C12H18N4O4S MolecularWeight: 314.36072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]C(=NC1=NC=CS1)N.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)[NH2+]/C(=N/C1=NC=CS1)/N.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C8H14N4S.C4H4O4/c1-8(2,3)12-6(9)11-7-10-4-5-13-7;5-3(6)1-2-4(7)8/h4-5H,1-3H3,(H3,9,10,11,12);1-2H,(H,5,6)(H,7,8)/b;2-1-