4-chloranyl-2-[2-(3-phenylpropylsulfanyl)ethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[2-(3-phenylpropylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 4-chloro-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]benzoic acid CAS Name: 4-chloro-2-[[1-oxo-2-(3-phenylpropylthio)ethyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[2-(3-phenylpropylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[2-(3-phenylpropylthio)acetyl]amino]benzoic acid Formula: C18H18ClNO3S MolecularWeight: 363.85842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCSCC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCSCC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C18H18ClNO3S/c19-14-8-9-15(18(22)23)16(11-14)20-17(21)12-24-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12H2,(H,20,21)(H,22,23)