tert-butyl 4-(2-azanyl-1-cyano-2-oxidanylidene-ethylidene)-1,3-dithietane-2-carboxylate

Systemtic Name: tert-butyl 4-(2-azanyl-1-cyano-2-oxidanylidene-ethylidene)-1,3-dithietane-2-carboxylate Openeye Name: tert-butyl 4-(2-amino-1-cyano-2-oxo-ethylidene)-1,3-dithietane-2-carboxylate CAS Name: 4-(2-amino-1-cyano-2-oxoethylidene)-1,3-dithietane-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-amino-1-cyano-2-oxoethylidene)-1,3-dithietane-2-carboxylate Traditional Name: 4-(2-amino-1-cyano-2-keto-ethylidene)-1,3-dithietane-2-carboxylic acid tert-butyl ester Formula: C10H12N2O3S2 MolecularWeight: 272.34388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1SC(=C(C#N)C(=O)N)S1

Isomeric SMILES

CC(C)(C)OC(=O)C1SC(=C(C#N)C(=O)N)S1

InChI

InChI=1S/C10H12N2O3S2/c1-10(2,3)15-7(14)9-16-8(17-9)5(4-11)6(12)13/h9H,1-3H3,(H2,12,13)