ethyl (4R)-4-(1,3-benzothiazol-2-ylamino)-2-methyl-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl (4R)-4-(1,3-benzothiazol-2-ylamino)-2-methyl-5-oxidanylidene-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl (4R)-4-(1,3-benzothiazol-2-ylamino)-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate CAS Name: (4R)-4-(1,3-benzothiazol-2-ylamino)-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(1,3-benzothiazol-2-ylamino)-2-methyl-5-oxo-4-(trifluoromethyl)-1H-pyrrole-3-carboxylate Traditional Name: (4R)-4-(1,3-benzothiazol-2-ylamino)-5-keto-2-methyl-4-(trifluoromethyl)-2-pyrroline-3-carboxylic acid ethyl ester Formula: C16H14F3N3O3S MolecularWeight: 385.36087

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)C1(C(F)(F)F)NC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)[C@]1(C(F)(F)F)NC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C16H14F3N3O3S/c1-3-25-12(23)11-8(2)20-13(24)15(11,16(17,18)19)22-14-21-9-6-4-5-7-10(9)26-14/h4-7H,3H2,1-2H3,(H,20,24)(H,21,22)/t15-/m1/s1