5-acetyloxy-2-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 5-acetyloxy-2-[2-[(4-chlorophenyl)methylsulfanyl]ethanoylamino]benzoic acid Openeye Name: 5-acetoxy-2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoic acid CAS Name: 5-acetyloxy-2-[[2-[(4-chlorophenyl)methylthio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-acetyloxy-2-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzoic acid Traditional Name: 5-acetoxy-2-[[2-[(4-chlorobenzyl)thio]acetyl]amino]benzoic acid Formula: C18H16ClNO5S MolecularWeight: 393.84134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC(=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C18H16ClNO5S/c1-11(21)25-14-6-7-16(15(8-14)18(23)24)20-17(22)10-26-9-12-2-4-13(19)5-3-12/h2-8H,9-10H2,1H3,(H,20,22)(H,23,24)