O3-tert-butyl O1-ethyl 2-[(E)-(2-azanyl-1,3-thiazol-4-ylidene)amino]oxypropanedioate

Systemtic Name: O3-tert-butyl O1-ethyl 2-[(E)-(2-azanyl-1,3-thiazol-4-ylidene)amino]oxypropanedioate Openeye Name: O1-tert-butyl O3-ethyl 2-[(E)-(2-aminothiazol-4-ylidene)amino]oxypropanedioate CAS Name: 2-[(E)-(2-amino-4-thiazolylidene)amino]oxypropanedioic acid O3-tert-butyl ester O1-ethyl ester IUPAC Name: 3-O-tert-butyl 1-O-ethyl 2-[(E)-(2-amino-1,3-thiazol-4-ylidene)amino]oxypropanedioate Traditional Name: 2-[(E)-(2-amino-2-thiazolin-4-ylidene)amino]oxymalonic acid O1-tert-butyl ester O3-ethyl ester Formula: C12H19N3O5S MolecularWeight: 317.36136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OC(C)(C)C)ON=C1CSC(=N1)N

Isomeric SMILES

CCOC(=O)C(C(=O)OC(C)(C)C)O/N=C/1\CSC(=N1)N

InChI

InChI=1S/C12H19N3O5S/c1-5-18-9(16)8(10(17)19-12(2,3)4)20-15-7-6-21-11(13)14-7/h8H,5-6H2,1-4H3,(H2,13,14,15)