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

Systemtic Name: diethyl-[2-[(2S)-4-oxidanyl-5-oxidanylidene-2-(4-propoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-1-yl]ethyl]azanium Openeye Name: diethyl-[2-[(2S)-4-hydroxy-5-oxo-2-(4-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[(2S)-4-hydroxy-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(4-propoxyphenyl)-2H-pyrrol-1-yl]ethyl]ammonium IUPAC Name: diethyl-[2-[(2S)-4-hydroxy-5-oxo-2-(4-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[(5S)-3-hydroxy-2-keto-5-(4-propoxyphenyl)-4-(2-thenoyl)-3-pyrrolin-1-yl]ethyl]ammonium Formula: C24H31N2O4S+ MolecularWeight: 443.57894

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+](CC)CC)O)C(=O)C3=CC=CS3

Isomeric SMILES

CCCOC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CC[NH+](CC)CC)O)C(=O)C3=CC=CS3

InChI

InChI=1S/C24H30N2O4S/c1-4-15-30-18-11-9-17(10-12-18)21-20(22(27)19-8-7-16-31-19)23(28)24(29)26(21)14-13-25(5-2)6-3/h7-12,16,21,28H,4-6,13-15H2,1-3H3/p+1/t21-/m0/s1