O1-(benzotriazol-1-yl) O3-ethyl 2-(1,3-dithietan-2-ylidene)propanedioate

Systemtic Name: O1-(benzotriazol-1-yl) O3-ethyl 2-(1,3-dithietan-2-ylidene)propanedioate Openeye Name: O1-(benzotriazol-1-yl) O3-ethyl 2-(1,3-dithietan-2-ylidene)propanedioate CAS Name: 2-(1,3-dithietan-2-ylidene)propanedioic acid O1-(1-benzotriazolyl) ester O3-ethyl ester IUPAC Name: 1-O-(benzotriazol-1-yl) 3-O-ethyl 2-(1,3-dithietan-2-ylidene)propanedioate Traditional Name: 2-(1,3-dithietan-2-ylidene)malonic acid O1-(benzotriazol-1-yl) ester O3-ethyl ester Formula: C13H11N3O4S2 MolecularWeight: 337.37414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1SCS1)C(=O)ON2C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)C(=C1SCS1)C(=O)ON2C3=CC=CC=C3N=N2

InChI

InChI=1S/C13H11N3O4S2/c1-2-19-11(17)10(13-21-7-22-13)12(18)20-16-9-6-4-3-5-8(9)14-15-16/h3-6H,2,7H2,1H3