(2S)-1-[3-(diethylazaniumyl)propyl]-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-4-olate

Systemtic Name: (2S)-1-[3-(diethylazaniumyl)propyl]-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-4-olate Openeye Name: (2S)-1-[3-(diethylammonio)propyl]-3-(5-methylfuran-2-carbonyl)-5-oxo-2-(2-thienyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-[3-(diethylammonio)propyl]-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate IUPAC Name: (2S)-1-[3-(diethylazaniumyl)propyl]-3-(5-methylfuran-2-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-4-olate Traditional Name: (5S)-1-[3-(diethylammonio)propyl]-2-keto-4-(5-methyl-2-furoyl)-5-(2-thienyl)-3-pyrrolin-3-olate Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC=C(O2)C)C3=CC=CS3

Isomeric SMILES

CC[NH+](CC)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC=C(O2)C)C3=CC=CS3

InChI

InChI=1S/C21H26N2O4S/c1-4-22(5-2)11-7-12-23-18(16-8-6-13-28-16)17(20(25)21(23)26)19(24)15-10-9-14(3)27-15/h6,8-10,13,18,25H,4-5,7,11-12H2,1-3H3/t18-/m1/s1