ethyl 3-(methylsulfanylmethylsulfanyl)-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanoate

Systemtic Name: ethyl 3-(methylsulfanylmethylsulfanyl)-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanoate Openeye Name: ethyl 3-(methylsulfanylmethylsulfanyl)-2-[[(E)-3-(3-pyridyl)prop-2-enoyl]amino]propanoate CAS Name: 3-[(methylthio)methylthio]-2-[[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(methylsulfanylmethylsulfanyl)-2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]propanoate Traditional Name: 3-[(methylthio)methylthio]-2-[[(E)-3-(3-pyridyl)acryloyl]amino]propionic acid ethyl ester Formula: C15H20N2O3S2 MolecularWeight: 340.4609

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCSC)NC(=O)C=CC1=CN=CC=C1

Isomeric SMILES

CCOC(=O)C(CSCSC)NC(=O)/C=C/C1=CN=CC=C1

InChI

InChI=1S/C15H20N2O3S2/c1-3-20-15(19)13(10-22-11-21-2)17-14(18)7-6-12-5-4-8-16-9-12/h4-9,13H,3,10-11H2,1-2H3,(H,17,18)/b7-6+