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

Systemtic Name: 4-chloranyl-3-[2-(2-methylpropylsulfanyl)ethanoylamino]benzoic acid Openeye Name: 4-chloro-3-[(2-isobutylsulfanylacetyl)amino]benzoic acid CAS Name: 4-chloro-3-[[2-(2-methylpropylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[[2-(2-methylpropylsulfanyl)acetyl]amino]benzoic acid Traditional Name: 4-chloro-3-[[2-(isobutylthio)acetyl]amino]benzoic acid Formula: C13H16ClNO3S MolecularWeight: 301.78904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSCC(=O)NC1=C(C=CC(=C1)C(=O)O)Cl

Isomeric SMILES

CC(C)CSCC(=O)NC1=C(C=CC(=C1)C(=O)O)Cl

InChI

InChI=1S/C13H16ClNO3S/c1-8(2)6-19-7-12(16)15-11-5-9(13(17)18)3-4-10(11)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)(H,17,18)