ethyl 3-chloranyl-4-(3-phenylsulfanylpropanoylamino)benzoate

Systemtic Name: ethyl 3-chloranyl-4-(3-phenylsulfanylpropanoylamino)benzoate Openeye Name: ethyl 3-chloro-4-(3-phenylsulfanylpropanoylamino)benzoate CAS Name: 3-chloro-4-[[1-oxo-3-(phenylthio)propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-(3-phenylsulfanylpropanoylamino)benzoate Traditional Name: 3-chloro-4-[3-(phenylthio)propanoylamino]benzoic acid ethyl ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CCSC2=CC=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CCSC2=CC=CC=C2)Cl

InChI

InChI=1S/C18H18ClNO3S/c1-2-23-18(22)13-8-9-16(15(19)12-13)20-17(21)10-11-24-14-6-4-3-5-7-14/h3-9,12H,2,10-11H2,1H3,(H,20,21)