methyl 4-[(3-methylsulfanylpropanoylamino)methyl]benzoate

Systemtic Name: methyl 4-[(3-methylsulfanylpropanoylamino)methyl]benzoate Openeye Name: methyl 4-[(3-methylsulfanylpropanoylamino)methyl]benzoate CAS Name: 4-[[[3-(methylthio)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-methylsulfanylpropanoylamino)methyl]benzoate Traditional Name: 4-[[3-(methylthio)propanoylamino]methyl]benzoic acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CCSC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CCSC

InChI

InChI=1S/C13H17NO3S/c1-17-13(16)11-5-3-10(4-6-11)9-14-12(15)7-8-18-2/h3-6H,7-9H2,1-2H3,(H,14,15)