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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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