N-(2-cyanoaziridin-1-yl)carbonyl-2-methyl-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-cyanoaziridin-1-yl)carbonyl-2-methyl-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-cyanoaziridine-1-carbonyl)-2-methyl-1,3-benzothiazole-6-carboxamide CAS Name: N-[(2-cyano-1-aziridinyl)-oxomethyl]-2-methyl-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-cyanoaziridine-1-carbonyl)-2-methyl-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-cyanoethylenimine-1-carbonyl)-2-methyl-1,3-benzothiazole-6-carboxamide Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)C(=O)NC(=O)N3CC3C#N

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)C(=O)NC(=O)N3CC3C#N

InChI

InChI=1S/C13H10N4O2S/c1-7-15-10-3-2-8(4-11(10)20-7)12(18)16-13(19)17-6-9(17)5-14/h2-4,9H,6H2,1H3,(H,16,18,19)