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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)NC1=C(C=C(C=C1C(=O)O)Cl)Cl

Isomeric SMILES

CC(C)(C)SCC(=O)NC1=C(C=C(C=C1C(=O)O)Cl)Cl

InChI

InChI=1S/C13H15Cl2NO3S/c1-13(2,3)20-6-10(17)16-11-8(12(18)19)4-7(14)5-9(11)15/h4-5H,6H2,1-3H3,(H,16,17)(H,18,19)