2-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]ethylcarbamoyl]benzoic acid

Systemtic Name: 2-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]ethylcarbamoyl]benzoic acid Openeye Name: 2-[2-[(6-bromo-2-methoxy-1-naphthyl)methylsulfanyl]ethylcarbamoyl]benzoic acid CAS Name: 2-[[2-[(6-bromo-2-methoxy-1-naphthalenyl)methylthio]ethylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(6-bromo-2-methoxynaphthalen-1-yl)methylsulfanyl]ethylcarbamoyl]benzoic acid Traditional Name: 2-[2-[(6-bromo-2-methoxy-1-naphthyl)methylthio]ethylcarbamoyl]benzoic acid Formula: C22H20BrNO4S MolecularWeight: 474.3675

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CSCCNC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CSCCNC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H20BrNO4S/c1-28-20-9-6-14-12-15(23)7-8-16(14)19(20)13-29-11-10-24-21(25)17-4-2-3-5-18(17)22(26)27/h2-9,12H,10-11,13H2,1H3,(H,24,25)(H,26,27)