methyl 4-[[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(4,5-dimethoxy-2-methyl-benzyl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSCC(=O)NCC2=CC=C(C=C2)C(=O)OC)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSCC(=O)NCC2=CC=C(C=C2)C(=O)OC)OC)OC

InChI

InChI=1S/C21H25NO5S/c1-14-9-18(25-2)19(26-3)10-17(14)12-28-13-20(23)22-11-15-5-7-16(8-6-15)21(24)27-4/h5-10H,11-13H2,1-4H3,(H,22,23)