2-(2-butylsulfanylethanoylamino)-3,5-bis(chloranyl)benzoic acid

Systemtic Name: 2-(2-butylsulfanylethanoylamino)-3,5-bis(chloranyl)benzoic acid Openeye Name: 2-[(2-butylsulfanylacetyl)amino]-3,5-dichloro-benzoic acid CAS Name: 2-[[2-(butylthio)-1-oxoethyl]amino]-3,5-dichlorobenzoic acid IUPAC Name: 2-[(2-butylsulfanylacetyl)amino]-3,5-dichlorobenzoic acid Traditional Name: 2-[[2-(butylthio)acetyl]amino]-3,5-dichloro-benzoic acid Formula: C13H15Cl2NO3S MolecularWeight: 336.2341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NC1=C(C=C(C=C1C(=O)O)Cl)Cl

Isomeric SMILES

CCCCSCC(=O)NC1=C(C=C(C=C1C(=O)O)Cl)Cl

InChI

InChI=1S/C13H15Cl2NO3S/c1-2-3-4-20-7-11(17)16-12-9(13(18)19)5-8(14)6-10(12)15/h5-6H,2-4,7H2,1H3,(H,16,17)(H,18,19)