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

Systemtic Name: methyl 4-methyl-3-[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyacetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]oxyacetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[(E)-3-[4-(methylthio)phenyl]acryloyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)C=CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H21NO5S/c1-14-4-8-16(21(25)26-2)12-18(14)22-19(23)13-27-20(24)11-7-15-5-9-17(28-3)10-6-15/h4-12H,13H2,1-3H3,(H,22,23)/b11-7+