methyl 4-[[2-(2-methylphenyl)sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(2-methylphenyl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(o-tolylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(2-methylphenyl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(o-tolylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H19NO3S/c1-13-5-3-4-6-16(13)23-12-17(20)19-11-14-7-9-15(10-8-14)18(21)22-2/h3-10H,11-12H2,1-2H3,(H,19,20)