methyl 4-(2-tert-butylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 4-(2-tert-butylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-[(2-tert-butylsulfanylacetyl)amino]benzoate CAS Name: 4-[[2-(tert-butylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-tert-butylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(tert-butylthio)acetyl]amino]benzoic acid methyl ester Formula: C14H19NO3S MolecularWeight: 281.37056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(C)(C)SCC(=O)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C14H19NO3S/c1-14(2,3)19-9-12(16)15-11-7-5-10(6-8-11)13(17)18-4/h5-8H,9H2,1-4H3,(H,15,16)