ethyl 2-[4-(4-methylpyridin-1-ium-1-yl)-2-(phenylcarbonyl)-5-(1-phenylethylsulfanyl)thiophen-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-(4-methylpyridin-1-ium-1-yl)-2-(phenylcarbonyl)-5-(1-phenylethylsulfanyl)thiophen-3-yl]ethanoate Openeye Name: ethyl 2-[2-benzoyl-4-(4-methylpyridin-1-ium-1-yl)-5-(1-phenylethylsulfanyl)-3-thienyl]acetate CAS Name: 2-[2-benzoyl-4-(4-methyl-1-pyridin-1-iumyl)-5-(1-phenylethylthio)-3-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-benzoyl-4-(4-methylpyridin-1-ium-1-yl)-5-(1-phenylethylsulfanyl)thiophen-3-yl]acetate Traditional Name: 2-[2-benzoyl-4-(4-methylpyridin-1-ium-1-yl)-5-(1-phenylethylthio)-3-thienyl]acetic acid ethyl ester Formula: C29H28NO3S2+ MolecularWeight: 502.66752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=C(C=C2)C)SC(C)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=C(C=C2)C)SC(C)C3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H28NO3S2/c1-4-33-25(31)19-24-26(30-17-15-20(2)16-18-30)29(34-21(3)22-11-7-5-8-12-22)35-28(24)27(32)23-13-9-6-10-14-23/h5-18,21H,4,19H2,1-3H3/q+1