methyl 4-[2-(phenylmethylsulfanyl)ethylcarbamoyl]benzoate

Systemtic Name: methyl 4-[2-(phenylmethylsulfanyl)ethylcarbamoyl]benzoate Openeye Name: methyl 4-(2-benzylsulfanylethylcarbamoyl)benzoate CAS Name: 4-[oxo-[2-(phenylmethylthio)ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(2-benzylsulfanylethylcarbamoyl)benzoate Traditional Name: 4-[2-(benzylthio)ethylcarbamoyl]benzoic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C18H19NO3S/c1-22-18(21)16-9-7-15(8-10-16)17(20)19-11-12-23-13-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,19,20)