(2R)-1-[2-(diethylazaniumyl)ethyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate

Systemtic Name: (2R)-1-[2-(diethylazaniumyl)ethyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate Openeye Name: (2R)-1-[2-(diethylammonio)ethyl]-3-(2,4-dimethylthiazole-5-carbonyl)-5-oxo-2-phenyl-2H-pyrrol-4-olate CAS Name: (2R)-1-[2-(diethylammonio)ethyl]-3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[2-(diethylazaniumyl)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-5-oxo-2-phenyl-2H-pyrrol-4-olate Traditional Name: (5R)-1-[2-(diethylammonio)ethyl]-4-(2,4-dimethylthiazole-5-carbonyl)-2-keto-5-phenyl-3-pyrrolin-3-olate Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)[O-])C(=O)C2=C(N=C(S2)C)C)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)CCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=C(N=C(S2)C)C)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-5-24(6-2)12-13-25-18(16-10-8-7-9-11-16)17(20(27)22(25)28)19(26)21-14(3)23-15(4)29-21/h7-11,18,27H,5-6,12-13H2,1-4H3/t18-/m1/s1