(2R)-1-[3-(dimethylazaniumyl)propyl]-5-oxidanylidene-2-(4-phenylmethoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: (2R)-1-[3-(dimethylazaniumyl)propyl]-5-oxidanylidene-2-(4-phenylmethoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: (2R)-2-(4-benzyloxyphenyl)-1-[3-(dimethylammonio)propyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: (2R)-1-[3-(dimethylammonio)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(4-phenylmethoxyphenyl)-2H-pyrrol-4-olate IUPAC Name: (2R)-1-[3-(dimethylazaniumyl)propyl]-5-oxo-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: (5R)-5-(4-benzoxyphenyl)-1-[3-(dimethylammonio)propyl]-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC=CS2)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC=CS2)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O4S/c1-28(2)15-7-16-29-24(23(26(31)27(29)32)25(30)22-10-6-17-34-22)20-11-13-21(14-12-20)33-18-19-8-4-3-5-9-19/h3-6,8-14,17,24,31H,7,15-16,18H2,1-2H3/t24-/m1/s1