3-[2-(3-acetamidophenyl)sulfanylethanoylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[2-(3-acetamidophenyl)sulfanylethanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]-4-chloro-benzoic acid CAS Name: 3-[[2-[(3-acetamidophenyl)thio]-1-oxoethyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[[2-(3-acetamidophenyl)sulfanylacetyl]amino]-4-chlorobenzoic acid Traditional Name: 3-[[2-[(3-acetamidophenyl)thio]acetyl]amino]-4-chloro-benzoic acid Formula: C17H15ClN2O4S MolecularWeight: 378.83

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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