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

Systemtic Name: ethyl 2-[5-[(E)-but-2-enyl]sulfanyl-2-(phenylcarbonyl)-4-pyridin-1-ium-1-yl-thiophen-3-yl]ethanoate Openeye Name: ethyl 2-[2-benzoyl-5-[(E)-but-2-enyl]sulfanyl-4-pyridin-1-ium-1-yl-3-thienyl]acetate CAS Name: 2-[2-benzoyl-5-[[(E)-but-2-enyl]thio]-4-(1-pyridin-1-iumyl)-3-thiophenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-benzoyl-5-[(E)-but-2-enyl]sulfanyl-4-pyridin-1-ium-1-ylthiophen-3-yl]acetate Traditional Name: 2-[2-benzoyl-5-[[(E)-but-2-enyl]thio]-4-pyridin-1-ium-1-yl-3-thienyl]acetic acid ethyl ester Formula: C24H24NO3S2+ MolecularWeight: 438.58226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24NO3S2/c1-3-5-16-29-24-21(25-14-10-7-11-15-25)19(17-20(26)28-4-2)23(30-24)22(27)18-12-8-6-9-13-18/h3,5-15H,4,16-17H2,1-2H3/q+1/b5-3+