methyl 4-[[2-[(3,5-dimethylphenyl)methylsulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(3,5-dimethylphenyl)methylsulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(3,5-dimethylphenyl)methylsulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(3,5-dimethylphenyl)methylthio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(3,5-dimethylphenyl)methylsulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(3,5-dimethylbenzyl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C20H23NO3S/c1-14-8-15(2)10-17(9-14)12-25-13-19(22)21-11-16-4-6-18(7-5-16)20(23)24-3/h4-10H,11-13H2,1-3H3,(H,21,22)