3-(2-butylsulfanylethanoylamino)-4-chloranyl-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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