ethyl (3S,5S)-5-(1,3-benzothiazol-2-ylamino)-2-methyl-4-oxidanylidene-5-(trifluoromethyl)-3H-pyrrol-1-ium-3-carboxylate

Systemtic Name: ethyl (3S,5S)-5-(1,3-benzothiazol-2-ylamino)-2-methyl-4-oxidanylidene-5-(trifluoromethyl)-3H-pyrrol-1-ium-3-carboxylate Openeye Name: ethyl (3S,5S)-5-(1,3-benzothiazol-2-ylamino)-2-methyl-4-oxo-5-(trifluoromethyl)-3H-pyrrol-1-ium-3-carboxylate CAS Name: (3S,5S)-5-(1,3-benzothiazol-2-ylamino)-2-methyl-4-oxo-5-(trifluoromethyl)-3H-pyrrol-1-ium-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,5S)-5-(1,3-benzothiazol-2-ylamino)-2-methyl-4-oxo-5-(trifluoromethyl)-3H-pyrrol-1-ium-3-carboxylate Traditional Name: (3S,5S)-5-(1,3-benzothiazol-2-ylamino)-4-keto-2-methyl-5-(trifluoromethyl)-1-pyrrolin-1-ium-3-carboxylic acid ethyl ester Formula: C16H15F3N3O3S+ MolecularWeight: 386.36881

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=[NH+]C(C1=O)(C(F)(F)F)NC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

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

InChI

InChI=1S/C16H14F3N3O3S/c1-3-25-13(24)11-8(2)21-15(12(11)23,16(17,18)19)22-14-20-9-6-4-5-7-10(9)26-14/h4-7,11H,3H2,1-2H3,(H,20,22)/p+1/t11-,15+/m0/s1