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

Systemtic Name: ethyl 2-[5-(diphenylmethyl)sulfanyl-2-(phenylcarbonyl)-4-pyridin-1-ium-1-yl-thiophen-3-yl]ethanoate Openeye Name: ethyl 2-(5-benzhydrylsulfanyl-2-benzoyl-4-pyridin-1-ium-1-yl-3-thienyl)acetate CAS Name: 2-[2-benzoyl-5-[(diphenylmethyl)thio]-4-(1-pyridin-1-iumyl)-3-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(5-benzhydrylsulfanyl-2-benzoyl-4-pyridin-1-ium-1-ylthiophen-3-yl)acetate Traditional Name: 2-[5-(benzhydrylthio)-2-benzoyl-4-pyridin-1-ium-1-yl-3-thienyl]acetic acid ethyl ester Formula: C33H28NO3S2+ MolecularWeight: 550.71032

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H28NO3S2/c1-2-37-28(35)23-27-29(34-21-13-6-14-22-34)33(39-32(27)30(36)24-15-7-3-8-16-24)38-31(25-17-9-4-10-18-25)26-19-11-5-12-20-26/h3-22,31H,2,23H2,1H3/q+1