ethyl 4-(2-phenylsulfanylethanoylamino)benzoate

Systemtic Name: ethyl 4-(2-phenylsulfanylethanoylamino)benzoate Openeye Name: ethyl 4-[(2-phenylsulfanylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(phenylthio)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-phenylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(phenylthio)acetyl]amino]benzoic acid ethyl ester Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C17H17NO3S/c1-2-21-17(20)13-8-10-14(11-9-13)18-16(19)12-22-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3,(H,18,19)