ethyl 2-(3-phenylmethoxypyridin-1-ium-1-yl)-3,3-bis(sulfanyl)prop-2-enoate

Systemtic Name: ethyl 2-(3-phenylmethoxypyridin-1-ium-1-yl)-3,3-bis(sulfanyl)prop-2-enoate Openeye Name: ethyl 2-(3-benzyloxypyridin-1-ium-1-yl)-3,3-bis(sulfanyl)prop-2-enoate CAS Name: 3,3-dimercapto-2-(3-phenylmethoxy-1-pyridin-1-iumyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-(3-phenylmethoxypyridin-1-ium-1-yl)-3,3-bis(sulfanyl)prop-2-enoate Traditional Name: 2-(3-benzoxypyridin-1-ium-1-yl)-3,3-dimercapto-acrylic acid ethyl ester Formula: C17H18NO3S2+ MolecularWeight: 348.45972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(S)S)[N+]1=CC=CC(=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(=C(S)S)[N+]1=CC=CC(=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C17H17NO3S2/c1-2-20-16(19)15(17(22)23)18-10-6-9-14(11-18)21-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H-,19,22,23)/p+1