S-(2-acetamidoethyl) (E)-2-methyl-3-pyridin-2-yl-prop-2-enethioate

Systemtic Name: S-(2-acetamidoethyl) (E)-2-methyl-3-pyridin-2-yl-prop-2-enethioate Openeye Name: S-(2-acetamidoethyl) (E)-2-methyl-3-(2-pyridyl)prop-2-enethioate CAS Name: (E)-2-methyl-3-(2-pyridinyl)-2-propenethioic acid S-(2-acetamidoethyl) ester IUPAC Name: S-(2-acetamidoethyl) (E)-2-methyl-3-pyridin-2-ylprop-2-enethioate Traditional Name: (E)-2-methyl-3-(2-pyridyl)prop-2-enethioic acid S-(2-acetamidoethyl) ester Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC=N1)C(=O)SCCNC(=O)C

Isomeric SMILES

C/C(=C\C1=CC=CC=N1)/C(=O)SCCNC(=O)C

InChI

InChI=1S/C13H16N2O2S/c1-10(9-12-5-3-4-6-15-12)13(17)18-8-7-14-11(2)16/h3-6,9H,7-8H2,1-2H3,(H,14,16)/b10-9+