ethyl 4-(2-methylsulfanylethanoylamino)benzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC

InChI

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