ethyl 2-[[(3S)-4-cyano-5-methyl-2-oxidanylidene-3-(trifluoromethyl)-1H-pyrrol-3-yl]amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[[(3S)-4-cyano-5-methyl-2-oxidanylidene-3-(trifluoromethyl)-1H-pyrrol-3-yl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3S)-4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[(3S)-4-cyano-2-keto-5-methyl-3-(trifluoromethyl)-2-pyrrolin-3-yl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C17H13F3N4O3S MolecularWeight: 410.37033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC3(C(=C(NC3=O)C)C#N)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)N[C@]3(C(=C(NC3=O)C)C#N)C(F)(F)F

InChI

InChI=1S/C17H13F3N4O3S/c1-3-27-13(25)9-4-5-11-12(6-9)28-15(23-11)24-16(17(18,19)20)10(7-21)8(2)22-14(16)26/h4-6H,3H2,1-2H3,(H,22,26)(H,23,24)/t16-/m0/s1