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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCSC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCSC

InChI

InChI=1S/C13H17NO3S/c1-9-4-5-10(13(16)17-2)8-11(9)14-12(15)6-7-18-3/h4-5,8H,6-7H2,1-3H3,(H,14,15)