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

Systemtic Name: ethyl 2-[5-(diphenylmethyl)sulfanyl-4-(4-methylpyridin-1-ium-1-yl)-2-(phenylcarbonyl)thiophen-3-yl]ethanoate Openeye Name: ethyl 2-[5-benzhydrylsulfanyl-2-benzoyl-4-(4-methylpyridin-1-ium-1-yl)-3-thienyl]acetate CAS Name: 2-[2-benzoyl-5-[(diphenylmethyl)thio]-4-(4-methyl-1-pyridin-1-iumyl)-3-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-benzhydrylsulfanyl-2-benzoyl-4-(4-methylpyridin-1-ium-1-yl)thiophen-3-yl]acetate Traditional Name: 2-[5-(benzhydrylthio)-2-benzoyl-4-(4-methylpyridin-1-ium-1-yl)-3-thienyl]acetic acid ethyl ester Formula: C34H30NO3S2+ MolecularWeight: 564.7369

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=C(C=C2)C)SC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=C(C=C2)C)SC(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C34H30NO3S2/c1-3-38-29(36)23-28-30(35-21-19-24(2)20-22-35)34(40-33(28)31(37)25-13-7-4-8-14-25)39-32(26-15-9-5-10-16-26)27-17-11-6-12-18-27/h4-22,32H,3,23H2,1-2H3/q+1