methyl 4-[2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(5-acetyl-2-ethoxyphenyl)methylthio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(5-acetyl-2-ethoxy-benzyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H23NO5S/c1-4-27-19-10-7-16(14(2)23)11-17(19)12-28-13-20(24)22-18-8-5-15(6-9-18)21(25)26-3/h5-11H,4,12-13H2,1-3H3,(H,22,24)