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

Systemtic Name: 4-chloranyl-3-(2-propan-2-ylsulfanylethanoylamino)benzoic acid Openeye Name: 4-chloro-3-[(2-isopropylsulfanylacetyl)amino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-(propan-2-ylthio)ethyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(2-propan-2-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 4-chloro-3-[[2-(isopropylthio)acetyl]amino]benzoic acid Formula: C12H14ClNO3S MolecularWeight: 287.76246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClNO3S/c1-7(2)18-6-11(15)14-10-5-8(12(16)17)3-4-9(10)13/h3-5,7H,6H2,1-2H3,(H,14,15)(H,16,17)