(3S,4R)-4-(1,3-benzothiazol-2-ylamino)-2-methylidene-5-oxidanylidene-4-(trifluoromethyl)pyrrolidine-3-carbonitrile

Systemtic Name: (3S,4R)-4-(1,3-benzothiazol-2-ylamino)-2-methylidene-5-oxidanylidene-4-(trifluoromethyl)pyrrolidine-3-carbonitrile Openeye Name: (3S,4R)-4-(1,3-benzothiazol-2-ylamino)-2-methylene-5-oxo-4-(trifluoromethyl)pyrrolidine-3-carbonitrile CAS Name: (3S,4R)-4-(1,3-benzothiazol-2-ylamino)-2-methylene-5-oxo-4-(trifluoromethyl)-3-pyrrolidinecarbonitrile IUPAC Name: (3S,4R)-4-(1,3-benzothiazol-2-ylamino)-2-methylidene-5-oxo-4-(trifluoromethyl)pyrrolidine-3-carbonitrile Traditional Name: (3S,4R)-4-(1,3-benzothiazol-2-ylamino)-5-keto-2-methylene-4-(trifluoromethyl)pyrrolidine-3-carbonitrile Formula: C14H9F3N4OS MolecularWeight: 338.30767

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(C(=O)N1)(C(F)(F)F)NC2=NC3=CC=CC=C3S2)C#N

Isomeric SMILES

C=C1[C@@H]([C@@](C(=O)N1)(C(F)(F)F)NC2=NC3=CC=CC=C3S2)C#N

InChI

InChI=1S/C14H9F3N4OS/c1-7-8(6-18)13(11(22)19-7,14(15,16)17)21-12-20-9-4-2-3-5-10(9)23-12/h2-5,8H,1H2,(H,19,22)(H,20,21)/t8-,13+/m0/s1