diethyl-[3-[(2S)-4-oxidanyl-5-oxidanylidene-2-(4-propoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]propyl]azanium

Systemtic Name: diethyl-[3-[(2S)-4-oxidanyl-5-oxidanylidene-2-(4-propoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]propyl]azanium Openeye Name: diethyl-[3-[(2S)-4-hydroxy-5-oxo-2-(4-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl]ammonium CAS Name: diethyl-[3-[(2S)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(4-propoxyphenyl)-2H-pyrrol-1-yl]propyl]ammonium IUPAC Name: diethyl-[3-[(2S)-4-hydroxy-5-oxo-2-(4-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]propyl]azanium Traditional Name: diethyl-[3-[(5S)-3-hydroxy-2-keto-5-(4-propoxyphenyl)-4-(2-thenoyl)-3-pyrrolin-1-yl]propyl]ammonium Formula: C25H33N2O4S+ MolecularWeight: 457.60552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+](CC)CC)O)C(=O)C3=CC=CS3

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CCC[NH+](CC)CC)O)C(=O)C3=CC=CS3

InChI

InChI=1S/C25H32N2O4S/c1-4-16-31-19-12-10-18(11-13-19)22-21(23(28)20-9-7-17-32-20)24(29)25(30)27(22)15-8-14-26(5-2)6-3/h7,9-13,17,22,29H,4-6,8,14-16H2,1-3H3/p+1/t22-/m0/s1