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

Systemtic Name: methyl (4S)-2-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl (4S)-2-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate CAS Name: (4S)-2-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-2-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C15H11F3N4O5S MolecularWeight: 416.33185

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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)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C15H11F3N4O5S/c1-6-10(11(23)27-2)14(12(24)19-6,15(16,17)18)21-13-20-8-4-3-7(22(25)26)5-9(8)28-13/h3-5H,1-2H3,(H,19,24)(H,20,21)/t14-/m0/s1