ethyl 2-[5-cyclohex-2-en-1-ylsulfanyl-2-(phenylcarbonyl)-4-pyridin-1-ium-1-yl-thiophen-3-yl]ethanoate

Systemtic Name: ethyl 2-[5-cyclohex-2-en-1-ylsulfanyl-2-(phenylcarbonyl)-4-pyridin-1-ium-1-yl-thiophen-3-yl]ethanoate Openeye Name: ethyl 2-(2-benzoyl-5-cyclohex-2-en-1-ylsulfanyl-4-pyridin-1-ium-1-yl-3-thienyl)acetate CAS Name: 2-[2-benzoyl-5-(1-cyclohex-2-enylthio)-4-(1-pyridin-1-iumyl)-3-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-benzoyl-5-cyclohex-2-en-1-ylsulfanyl-4-pyridin-1-ium-1-ylthiophen-3-yl)acetate Traditional Name: 2-[2-benzoyl-5-(cyclohex-2-en-1-ylthio)-4-pyridin-1-ium-1-yl-3-thienyl]acetic acid ethyl ester Formula: C26H26NO3S2+ MolecularWeight: 464.61954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=CC=C2)SC3CCCC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CC1=C(SC(=C1[N+]2=CC=CC=C2)SC3CCCC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26NO3S2/c1-2-30-22(28)18-21-23(27-16-10-5-11-17-27)26(31-20-14-8-4-9-15-20)32-25(21)24(29)19-12-6-3-7-13-19/h3,5-8,10-14,16-17,20H,2,4,9,15,18H2,1H3/q+1