[(E)-2-(ethanoylsulfanylmethyl)-3-phenyl-prop-2-enoyl] 4-azanyl-3-methyl-butanoate

Systemtic Name: [(E)-2-(ethanoylsulfanylmethyl)-3-phenyl-prop-2-enoyl] 4-azanyl-3-methyl-butanoate Openeye Name: [(E)-2-(acetylsulfanylmethyl)-3-phenyl-prop-2-enoyl] 4-amino-3-methyl-butanoate CAS Name: 4-amino-3-methylbutanoic acid [(E)-2-[(acetylthio)methyl]-1-oxo-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-2-(acetylsulfanylmethyl)-3-phenylprop-2-enoyl] 4-amino-3-methylbutanoate Traditional Name: 4-amino-3-methyl-butyric acid [(E)-2-[(acetylthio)methyl]-3-phenyl-acryloyl] ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO4S/c1-12(10-18)8-16(20)22-17(21)15(11-23-13(2)19)9-14-6-4-3-5-7-14/h3-7,9,12H,8,10-11,18H2,1-2H3/b15-9-