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

Systemtic Name: methyl 3-methyl-2-[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyethanoylamino]pentanoate Openeye Name: methyl 3-methyl-2-[[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyacetyl]amino]pentanoate CAS Name: 3-methyl-2-[[2-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enoxy]-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyacetyl]amino]pentanoate Traditional Name: 3-methyl-2-[[2-[(E)-3-[4-(methylthio)phenyl]acryloyl]oxyacetyl]amino]valeric acid methyl ester Formula: C19H25NO5S MolecularWeight: 379.4705

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC(=O)C=CC1=CC=C(C=C1)SC

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)COC(=O)/C=C/C1=CC=C(C=C1)SC

InChI

InChI=1S/C19H25NO5S/c1-5-13(2)18(19(23)24-3)20-16(21)12-25-17(22)11-8-14-6-9-15(26-4)10-7-14/h6-11,13,18H,5,12H2,1-4H3,(H,20,21)/b11-8+