2-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamoylamino]phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-[(5-chloranyl-2,4-dimethoxy-phenyl)carbamoylamino]phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamoylamino]phenyl]sulfanylacetic acid CAS Name: 2-[[4-[[(5-chloro-2,4-dimethoxyanilino)-oxomethyl]amino]phenyl]thio]acetic acid IUPAC Name: 2-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]phenyl]sulfanylacetic acid Traditional Name: 2-[[4-[(5-chloro-2,4-dimethoxy-phenyl)carbamoylamino]phenyl]thio]acetic acid Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)NC2=CC=C(C=C2)SCC(=O)O)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)NC2=CC=C(C=C2)SCC(=O)O)Cl)OC

InChI

InChI=1S/C17H17ClN2O5S/c1-24-14-8-15(25-2)13(7-12(14)18)20-17(23)19-10-3-5-11(6-4-10)26-9-16(21)22/h3-8H,9H2,1-2H3,(H,21,22)(H2,19,20,23)