2-[3-[(4-acetamidophenyl)sulfanylcarbamoylamino]-5-methoxy-phenoxy]-2-chloranyl-ethanoic acid

Systemtic Name: 2-[3-[(4-acetamidophenyl)sulfanylcarbamoylamino]-5-methoxy-phenoxy]-2-chloranyl-ethanoic acid Openeye Name: 2-[3-[(4-acetamidophenyl)sulfanylcarbamoylamino]-5-methoxy-phenoxy]-2-chloro-acetic acid CAS Name: 2-[3-[[[[(4-acetamidophenyl)thio]amino]-oxomethyl]amino]-5-methoxyphenoxy]-2-chloroacetic acid IUPAC Name: 2-[3-[(4-acetamidophenyl)sulfanylcarbamoylamino]-5-methoxyphenoxy]-2-chloroacetic acid Traditional Name: 2-[3-[[(4-acetamidophenyl)thio]carbamoylamino]-5-methoxy-phenoxy]-2-chloro-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(=CC(=C2)OC(C(=O)O)Cl)OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SNC(=O)NC2=CC(=CC(=C2)OC(C(=O)O)Cl)OC

InChI

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