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

Systemtic Name: methyl (4S)-2-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl (4S)-2-methyl-4-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate CAS Name: (4S)-2-methyl-4-[(6-methylsulfonyl-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-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Traditional Name: (4S)-5-keto-4-[(6-mesyl-1,3-benzothiazol-2-yl)amino]-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C16H14F3N3O5S2 MolecularWeight: 449.42467

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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)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H14F3N3O5S2/c1-7-11(12(23)27-2)15(13(24)20-7,16(17,18)19)22-14-21-9-5-4-8(29(3,25)26)6-10(9)28-14/h4-6H,1-3H3,(H,20,24)(H,21,22)/t15-/m0/s1