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

Systemtic Name: methyl 4-[[2-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(5-acetyl-2-ethoxyphenyl)methylthio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(5-acetyl-2-ethoxy-benzyl)thio]acetyl]amino]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)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H25NO5S/c1-4-28-20-10-9-18(15(2)24)11-19(20)13-29-14-21(25)23-12-16-5-7-17(8-6-16)22(26)27-3/h5-11H,4,12-14H2,1-3H3,(H,23,25)