(2R)-1-[2-(dimethylazaniumyl)ethyl]-2-(3-methoxy-4-phenylmethoxy-phenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2R)-1-[2-(dimethylazaniumyl)ethyl]-2-(3-methoxy-4-phenylmethoxy-phenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-2-(4-benzyloxy-3-methoxy-phenyl)-1-[2-(dimethylammonio)ethyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-1-[2-(dimethylammonio)ethyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[2-(dimethylazaniumyl)ethyl]-2-(3-methoxy-4-phenylmethoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-5-(4-benzoxy-3-methoxy-phenyl)-1-[2-(dimethylammonio)ethyl]-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(=C(C1=O)[O-])C(=O)C2=CC=CS2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

Isomeric SMILES

C[NH+](C)CCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC=CS2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H28N2O5S/c1-28(2)13-14-29-24(23(26(31)27(29)32)25(30)22-10-7-15-35-22)19-11-12-20(21(16-19)33-3)34-17-18-8-5-4-6-9-18/h4-12,15-16,24,31H,13-14,17H2,1-3H3/t24-/m1/s1