2-(3-methoxy-4-propoxy-phenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: 2-(3-methoxy-4-propoxy-phenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-(3-methoxy-4-propoxy-phenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 2-(3-methoxy-4-propoxyphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: 2-(3-methoxy-4-propoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-5-(3-methoxy-4-propoxy-phenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C25H30N2O6S MolecularWeight: 486.5805

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CS4)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC=CS4)OC

InChI

InChI=1S/C25H30N2O6S/c1-3-12-33-18-7-6-17(16-19(18)31-2)22-21(23(28)20-5-4-15-34-20)24(29)25(30)27(22)9-8-26-10-13-32-14-11-26/h4-7,15-16,22,29H,3,8-14H2,1-2H3