methyl 4,5-dimethoxy-2-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[(E)-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[(E)-3-[4-(methylthio)phenyl]acryloyl]amino]benzoic acid methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C=CC2=CC=C(C=C2)SC)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)/C=C/C2=CC=C(C=C2)SC)OC

InChI

InChI=1S/C20H21NO5S/c1-24-17-11-15(20(23)26-3)16(12-18(17)25-2)21-19(22)10-7-13-5-8-14(27-4)9-6-13/h5-12H,1-4H3,(H,21,22)/b10-7+