methyl 2-methyl-5-(methylsulfanylmethyl)-4-(propanoylamino)benzoate

Systemtic Name: methyl 2-methyl-5-(methylsulfanylmethyl)-4-(propanoylamino)benzoate Openeye Name: methyl 2-methyl-5-(methylsulfanylmethyl)-4-(propanoylamino)benzoate CAS Name: 2-methyl-5-[(methylthio)methyl]-4-(1-oxopropylamino)benzoic acid methyl ester IUPAC Name: methyl 2-methyl-5-(methylsulfanylmethyl)-4-(propanoylamino)benzoate Traditional Name: 2-methyl-5-[(methylthio)methyl]-4-propionamido-benzoic acid methyl ester Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=C(C(=C1)C)C(=O)OC)CSC

Isomeric SMILES

CCC(=O)NC1=C(C=C(C(=C1)C)C(=O)OC)CSC

InChI

InChI=1S/C14H19NO3S/c1-5-13(16)15-12-6-9(2)11(14(17)18-3)7-10(12)8-19-4/h6-7H,5,8H2,1-4H3,(H,15,16)