(4S)-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-methyl-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile

Systemtic Name: (4S)-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-methyl-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile Openeye Name: (4S)-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile CAS Name: (4S)-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile IUPAC Name: (4S)-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carbonitrile Traditional Name: (4S)-5-keto-4-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carbonitrile Formula: C15H11F3N4O2S MolecularWeight: 368.33365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=O)N1)(C(F)(F)F)NC2=NC3=C(S2)C=C(C=C3)OC)C#N

Isomeric SMILES

CC1=C([C@](C(=O)N1)(C(F)(F)F)NC2=NC3=C(S2)C=C(C=C3)OC)C#N

InChI

InChI=1S/C15H11F3N4O2S/c1-7-9(6-19)14(12(23)20-7,15(16,17)18)22-13-21-10-4-3-8(24-2)5-11(10)25-13/h3-5H,1-2H3,(H,20,23)(H,21,22)/t14-/m0/s1