methyl 3-[[(E)-2-(ethanoylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]-2-methyl-propanoate

Systemtic Name: methyl 3-[[(E)-2-(ethanoylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]-2-methyl-propanoate Openeye Name: methyl 3-[[(E)-2-(acetylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]-2-methyl-propanoate CAS Name: 3-[[(E)-2-[(acetylthio)methyl]-1-oxo-3-phenylprop-2-enyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-[[(E)-2-(acetylsulfanylmethyl)-3-phenylprop-2-enoyl]amino]-2-methylpropanoate Traditional Name: 3-[[(E)-2-[(acetylthio)methyl]-3-phenyl-acryloyl]amino]-2-methyl-propionic acid methyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(=CC1=CC=CC=C1)CSC(=O)C)C(=O)OC

Isomeric SMILES

CC(CNC(=O)/C(=C\C1=CC=CC=C1)/CSC(=O)C)C(=O)OC

InChI

InChI=1S/C17H21NO4S/c1-12(17(21)22-3)10-18-16(20)15(11-23-13(2)19)9-14-7-5-4-6-8-14/h4-9,12H,10-11H2,1-3H3,(H,18,20)/b15-9-