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

Systemtic Name: diethyl-[2-[(2S)-2-(4-methoxyphenyl)-4-oxidanyl-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[(2S)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[(2S)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-1-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[(2S)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[(5S)-3-hydroxy-2-keto-5-(4-methoxyphenyl)-4-(2-thenoyl)-3-pyrrolin-1-yl]ethyl]ammonium Formula: C22H27N2O4S+ MolecularWeight: 415.52578

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[NH+](CC)CCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N2O4S/c1-4-23(5-2)12-13-24-19(15-8-10-16(28-3)11-9-15)18(21(26)22(24)27)20(25)17-7-6-14-29-17/h6-11,14,19,26H,4-5,12-13H2,1-3H3/p+1/t19-/m0/s1