ethyl 3-methyl-4-(2-phenylsulfanylpropanoylamino)benzoate

Systemtic Name: ethyl 3-methyl-4-(2-phenylsulfanylpropanoylamino)benzoate Openeye Name: ethyl 3-methyl-4-(2-phenylsulfanylpropanoylamino)benzoate CAS Name: 3-methyl-4-[[1-oxo-2-(phenylthio)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-(2-phenylsulfanylpropanoylamino)benzoate Traditional Name: 3-methyl-4-[2-(phenylthio)propanoylamino]benzoic acid ethyl ester Formula: C19H21NO3S MolecularWeight: 343.43994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)SC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)SC2=CC=CC=C2)C

InChI

InChI=1S/C19H21NO3S/c1-4-23-19(22)15-10-11-17(13(2)12-15)20-18(21)14(3)24-16-8-6-5-7-9-16/h5-12,14H,4H2,1-3H3,(H,20,21)