methyl 4-[[2-(3-phenylpropylsulfanyl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(3-phenylpropylsulfanyl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(3-phenylpropylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(3-phenylpropylthio)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(3-phenylpropylsulfanyl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(3-phenylpropylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSCCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSCCCC2=CC=CC=C2

InChI

InChI=1S/C20H23NO3S/c1-24-20(23)18-11-9-17(10-12-18)14-21-19(22)15-25-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-15H2,1H3,(H,21,22)