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

Systemtic Name: (2R)-1-[3-(diethylazaniumyl)propyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-2-(3-methoxyphenyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: (2R)-1-[3-(diethylammonio)propyl]-3-(2,4-dimethylthiazole-5-carbonyl)-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate CAS Name: (2R)-1-[3-(diethylammonio)propyl]-3-[(2,4-dimethyl-5-thiazolyl)-oxomethyl]-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[3-(diethylazaniumyl)propyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: (5R)-1-[3-(diethylammonio)propyl]-4-(2,4-dimethylthiazole-5-carbonyl)-2-keto-5-(3-methoxyphenyl)-3-pyrrolin-3-olate Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=C(N=C(S2)C)C)C3=CC(=CC=C3)OC

Isomeric SMILES

CC[NH+](CC)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=C(N=C(S2)C)C)C3=CC(=CC=C3)OC

InChI

InChI=1S/C24H31N3O4S/c1-6-26(7-2)12-9-13-27-20(17-10-8-11-18(14-17)31-5)19(22(29)24(27)30)21(28)23-15(3)25-16(4)32-23/h8,10-11,14,20,29H,6-7,9,12-13H2,1-5H3/t20-/m1/s1