methyl 3-[[(Z)-2-(2,2-dimethylpropanoylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]propanoate

Systemtic Name: methyl 3-[[(Z)-2-(2,2-dimethylpropanoylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]propanoate Openeye Name: methyl 3-[[(Z)-2-(2,2-dimethylpropanoylsulfanylmethyl)-3-phenyl-prop-2-enoyl]amino]propanoate CAS Name: 3-[[(Z)-2-[[(2,2-dimethyl-1-oxopropyl)thio]methyl]-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[(Z)-2-(2,2-dimethylpropanoylsulfanylmethyl)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(Z)-3-phenyl-2-[(pivaloylthio)methyl]acryloyl]amino]propionic acid methyl ester Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)SCC(=CC1=CC=CC=C1)C(=O)NCCC(=O)OC

Isomeric SMILES

CC(C)(C)C(=O)SC/C(=C\C1=CC=CC=C1)/C(=O)NCCC(=O)OC

InChI

InChI=1S/C19H25NO4S/c1-19(2,3)18(23)25-13-15(12-14-8-6-5-7-9-14)17(22)20-11-10-16(21)24-4/h5-9,12H,10-11,13H2,1-4H3,(H,20,22)/b15-12+