3-(2-tert-butylsulfanylethanoylamino)-4-chloranyl-benzoate

Systemtic Name: 3-(2-tert-butylsulfanylethanoylamino)-4-chloranyl-benzoate Openeye Name: 3-[(2-tert-butylsulfanylacetyl)amino]-4-chloro-benzoate CAS Name: 3-[[2-(tert-butylthio)-1-oxoethyl]amino]-4-chlorobenzoate IUPAC Name: 3-[(2-tert-butylsulfanylacetyl)amino]-4-chlorobenzoate Traditional Name: 3-[[2-(tert-butylthio)acetyl]amino]-4-chloro-benzoate Formula: C13H15ClNO3S- MolecularWeight: 300.7811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)NC1=C(C=CC(=C1)C(=O)[O-])Cl

Isomeric SMILES

CC(C)(C)SCC(=O)NC1=C(C=CC(=C1)C(=O)[O-])Cl

InChI

InChI=1S/C13H16ClNO3S/c1-13(2,3)19-7-11(16)15-10-6-8(12(17)18)4-5-9(10)14/h4-6H,7H2,1-3H3,(H,15,16)(H,17,18)/p-1