ethyl 4-(3-methylsulfanylpropanoylamino)benzoate

Systemtic Name: ethyl 4-(3-methylsulfanylpropanoylamino)benzoate Openeye Name: ethyl 4-(3-methylsulfanylpropanoylamino)benzoate CAS Name: 4-[[3-(methylthio)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-methylsulfanylpropanoylamino)benzoate Traditional Name: 4-[3-(methylthio)propanoylamino]benzoic acid ethyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO3S/c1-3-17-13(16)10-4-6-11(7-5-10)14-12(15)8-9-18-2/h4-7H,3,8-9H2,1-2H3,(H,14,15)