2-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloranyl-5-methoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloranyl-5-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloro-5-methoxy-phenoxy]acetic acid CAS Name: 2-[4-[[[[(4-acetamidophenyl)thio]amino]-oxomethyl]amino]-2-chloro-5-methoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloro-5-methoxyphenoxy]acetic acid Traditional Name: 2-[4-[[(4-acetamidophenyl)thio]carbamoylamino]-2-chloro-5-methoxy-phenoxy]acetic acid Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SNC(=O)NC2=CC(=C(C=C2OC)OCC(=O)O)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SNC(=O)NC2=CC(=C(C=C2OC)OCC(=O)O)Cl

InChI

InChI=1S/C18H18ClN3O6S/c1-10(23)20-11-3-5-12(6-4-11)29-22-18(26)21-14-7-13(19)15(8-16(14)27-2)28-9-17(24)25/h3-8H,9H2,1-2H3,(H,20,23)(H,24,25)(H2,21,22,26)