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

Systemtic Name: O1-(benzotriazol-1-yl) O3-propan-2-yl 2-(1,3-dithietan-2-ylidene)propanedioate Openeye Name: O1-(benzotriazol-1-yl) O3-isopropyl 2-(1,3-dithietan-2-ylidene)propanedioate CAS Name: 2-(1,3-dithietan-2-ylidene)propanedioic acid O1-(1-benzotriazolyl) ester O3-propan-2-yl ester IUPAC Name: 1-O-(benzotriazol-1-yl) 3-O-propan-2-yl 2-(1,3-dithietan-2-ylidene)propanedioate Traditional Name: 2-(1,3-dithietan-2-ylidene)malonic acid O1-(benzotriazol-1-yl) ester O3-isopropyl ester Formula: C14H13N3O4S2 MolecularWeight: 351.40072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4S2/c1-8(2)20-12(18)11(14-22-7-23-14)13(19)21-17-10-6-4-3-5-9(10)15-16-17/h3-6,8H,7H2,1-2H3