2-acetamido-5-[(5-chloranyl-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]benzoic acid

Systemtic Name: 2-acetamido-5-[(5-chloranyl-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]benzoic acid Openeye Name: 2-acetamido-5-[(5-chloro-2,4-dimethoxy-phenyl)sulfanylcarbamoylamino]benzoic acid CAS Name: 2-acetamido-5-[[[[(5-chloro-2,4-dimethoxyphenyl)thio]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 2-acetamido-5-[(5-chloro-2,4-dimethoxyphenyl)sulfanylcarbamoylamino]benzoic acid Traditional Name: 2-acetamido-5-[[(5-chloro-2,4-dimethoxy-phenyl)thio]carbamoylamino]benzoic acid Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)NSC2=CC(=C(C=C2OC)OC)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)NSC2=CC(=C(C=C2OC)OC)Cl)C(=O)O

InChI

InChI=1S/C18H18ClN3O6S/c1-9(23)20-13-5-4-10(6-11(13)17(24)25)21-18(26)22-29-16-7-12(19)14(27-2)8-15(16)28-3/h4-8H,1-3H3,(H,20,23)(H,24,25)(H2,21,22,26)