2,2,2-tris(chloranyl)ethyl 3-isocyano-4-(4-methyl-2-oxidanylidene-3H-1,3-thiazol-5-yl)-4H-pyridine-1-carboxylate

Systemtic Name: 2,2,2-tris(chloranyl)ethyl 3-isocyano-4-(4-methyl-2-oxidanylidene-3H-1,3-thiazol-5-yl)-4H-pyridine-1-carboxylate Openeye Name: 2,2,2-trichloroethyl 3-isocyano-4-(4-methyl-2-oxo-3H-thiazol-5-yl)-4H-pyridine-1-carboxylate CAS Name: 3-isocyano-4-(4-methyl-2-oxo-3H-thiazol-5-yl)-4H-pyridine-1-carboxylic acid 2,2,2-trichloroethyl ester IUPAC Name: 2,2,2-trichloroethyl 3-isocyano-4-(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)-4H-pyridine-1-carboxylate Traditional Name: 3-isocyano-4-(2-keto-4-methyl-4-thiazolin-5-yl)-4H-pyridine-1-carboxylic acid 2,2,2-trichloroethyl ester Formula: C13H10Cl3N3O3S MolecularWeight: 394.6608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=O)N1)C2C=CN(C=C2[N+]#[C-])C(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CC1=C(SC(=O)N1)C2C=CN(C=C2[N+]#[C-])C(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C13H10Cl3N3O3S/c1-7-10(23-11(20)18-7)8-3-4-19(5-9(8)17-2)12(21)22-6-13(14,15)16/h3-5,8H,6H2,1H3,(H,18,20)