methyl 4-[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyacetyl]amino]butanoate CAS Name: 4-[[2-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enoxy]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyacetyl]amino]butanoate Traditional Name: 4-[[2-[(E)-3-[4-(methylthio)phenyl]acryloyl]oxyacetyl]amino]butyric acid methyl ester Formula: C17H21NO5S MolecularWeight: 351.41734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)COC(=O)C=CC1=CC=C(C=C1)SC

Isomeric SMILES

COC(=O)CCCNC(=O)COC(=O)/C=C/C1=CC=C(C=C1)SC

InChI

InChI=1S/C17H21NO5S/c1-22-16(20)4-3-11-18-15(19)12-23-17(21)10-7-13-5-8-14(24-2)9-6-13/h5-10H,3-4,11-12H2,1-2H3,(H,18,19)/b10-7+