methyl 2-methoxy-5-[(3-methylsulfanylpropanoylamino)methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[(3-methylsulfanylpropanoylamino)methyl]benzoate Openeye Name: methyl 2-methoxy-5-[(3-methylsulfanylpropanoylamino)methyl]benzoate CAS Name: 2-methoxy-5-[[[3-(methylthio)-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[(3-methylsulfanylpropanoylamino)methyl]benzoate Traditional Name: 2-methoxy-5-[[3-(methylthio)propanoylamino]methyl]benzoic acid methyl ester Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCSC)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCSC)C(=O)OC

InChI

InChI=1S/C14H19NO4S/c1-18-12-5-4-10(8-11(12)14(17)19-2)9-15-13(16)6-7-20-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,16)