diethyl-[3-[(2R)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-1-yl]propyl]azanium

Systemtic Name: diethyl-[3-[(2R)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2H-pyrrol-1-yl]propyl]azanium Openeye Name: diethyl-[3-[(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2-(2-thienyl)-2H-pyrrol-1-yl]propyl]ammonium CAS Name: diethyl-[3-[(2R)-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2-thiophen-2-yl-2H-pyrrol-1-yl]propyl]ammonium IUPAC Name: diethyl-[3-[(2R)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-5-oxo-2-thiophen-2-yl-2H-pyrrol-1-yl]propyl]azanium Traditional Name: diethyl-[3-[(5R)-3-hydroxy-2-keto-4-(5-methyl-2-furoyl)-5-(2-thienyl)-3-pyrrolin-1-yl]propyl]ammonium Formula: C21H27N2O4S+ MolecularWeight: 403.51508

Click to see the large picture

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/p+1/t18-/m0/s1