methyl 4-methyl-3-(2-methylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(2-methylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-methyl-3-[(2-methylsulfanylacetyl)amino]benzoate CAS Name: 4-methyl-3-[[2-(methylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(2-methylsulfanylacetyl)amino]benzoate Traditional Name: 4-methyl-3-[[2-(methylthio)acetyl]amino]benzoic acid methyl ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c1-8-4-5-9(12(15)16-2)6-10(8)13-11(14)7-17-3/h4-6H,7H2,1-3H3,(H,13,14)