methyl 4-methyl-3-[2-[(E)-3-phenylprop-2-enyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[(E)-3-phenylprop-2-enyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(E)-cinnamyl]sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[[(E)-3-phenylprop-2-enyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[(E)-3-phenylprop-2-enyl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[(E)-cinnamyl]thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3S/c1-15-10-11-17(20(23)24-2)13-18(15)21-19(22)14-25-12-6-9-16-7-4-3-5-8-16/h3-11,13H,12,14H2,1-2H3,(H,21,22)/b9-6+