5-[2-(4-acetamidophenyl)sulfanylethanoylamino]-2-chloranyl-benzoic acid

Systemtic Name: 5-[2-(4-acetamidophenyl)sulfanylethanoylamino]-2-chloranyl-benzoic acid Openeye Name: 5-[[2-(4-acetamidophenyl)sulfanylacetyl]amino]-2-chloro-benzoic acid CAS Name: 5-[[2-[(4-acetamidophenyl)thio]-1-oxoethyl]amino]-2-chlorobenzoic acid IUPAC Name: 5-[[2-(4-acetamidophenyl)sulfanylacetyl]amino]-2-chlorobenzoic acid Traditional Name: 5-[[2-[(4-acetamidophenyl)thio]acetyl]amino]-2-chloro-benzoic acid Formula: C17H15ClN2O4S MolecularWeight: 378.83

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C17H15ClN2O4S/c1-10(21)19-11-2-5-13(6-3-11)25-9-16(22)20-12-4-7-15(18)14(8-12)17(23)24/h2-8H,9H2,1H3,(H,19,21)(H,20,22)(H,23,24)