3-(2-butan-2-ylsulfanylethanoylamino)-4-chloranyl-benzoic acid

Systemtic Name: 3-(2-butan-2-ylsulfanylethanoylamino)-4-chloranyl-benzoic acid Openeye Name: 4-chloro-3-[(2-sec-butylsulfanylacetyl)amino]benzoic acid CAS Name: 3-[[2-(butan-2-ylthio)-1-oxoethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[(2-butan-2-ylsulfanylacetyl)amino]-4-chlorobenzoic acid Traditional Name: 4-chloro-3-[[2-(sec-butylthio)acetyl]amino]benzoic acid Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC(=O)NC1=C(C=CC(=C1)C(=O)O)Cl

Isomeric SMILES

CCC(C)SCC(=O)NC1=C(C=CC(=C1)C(=O)O)Cl

InChI

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