methyl 4-(3-methylsulfanylpropanoylamino)benzoate

Systemtic Name: methyl 4-(3-methylsulfanylpropanoylamino)benzoate Openeye Name: methyl 4-(3-methylsulfanylpropanoylamino)benzoate CAS Name: 4-[[3-(methylthio)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(3-methylsulfanylpropanoylamino)benzoate Traditional Name: 4-[3-(methylthio)propanoylamino]benzoic acid methyl ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c1-16-12(15)9-3-5-10(6-4-9)13-11(14)7-8-17-2/h3-6H,7-8H2,1-2H3,(H,13,14)