methyl 3-[2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(5-acetyl-2-ethoxyphenyl)methylthio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(5-acetyl-2-ethoxy-benzyl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO5S/c1-5-28-20-9-8-16(15(3)24)10-18(20)12-29-13-21(25)23-19-11-17(22(26)27-4)7-6-14(19)2/h6-11H,5,12-13H2,1-4H3,(H,23,25)