ethyl 2-[5-[(2-chlorophenyl)methylsulfanyl]-2-(phenylcarbonyl)-4-pyridin-1-ium-1-yl-thiophen-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-[(2-chlorophenyl)methylsulfanyl]-2-(phenylcarbonyl)-4-pyridin-1-ium-1-yl-thiophen-3-yl]ethanoate Openeye Name: ethyl 2-[2-benzoyl-5-[(2-chlorophenyl)methylsulfanyl]-4-pyridin-1-ium-1-yl-3-thienyl]acetate CAS Name: 2-[2-benzoyl-5-[(2-chlorophenyl)methylthio]-4-(1-pyridin-1-iumyl)-3-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-benzoyl-5-[(2-chlorophenyl)methylsulfanyl]-4-pyridin-1-ium-1-ylthiophen-3-yl]acetate Traditional Name: 2-[2-benzoyl-5-[(2-chlorobenzyl)thio]-4-pyridin-1-ium-1-yl-3-thienyl]acetic acid ethyl ester Formula: C27H23ClNO3S2+ MolecularWeight: 509.05942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=CC=C2)SCC3=CC=CC=C3Cl)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=CC=C2)SCC3=CC=CC=C3Cl)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H23ClNO3S2/c1-2-32-23(30)17-21-24(29-15-9-4-10-16-29)27(33-18-20-13-7-8-14-22(20)28)34-26(21)25(31)19-11-5-3-6-12-19/h3-16H,2,17-18H2,1H3/q+1