3-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]ethylcarbamoyl]naphthalene-2-carboxylic acid

Systemtic Name: 3-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]ethylcarbamoyl]naphthalene-2-carboxylic acid Openeye Name: 3-[2-[(6-bromo-2-methoxy-1-naphthyl)methylsulfanyl]ethylcarbamoyl]naphthalene-2-carboxylic acid CAS Name: 3-[[2-[(6-bromo-2-methoxy-1-naphthalenyl)methylthio]ethylamino]-oxomethyl]-2-naphthalenecarboxylic acid IUPAC Name: 3-[2-[(6-bromo-2-methoxynaphthalen-1-yl)methylsulfanyl]ethylcarbamoyl]naphthalene-2-carboxylic acid Traditional Name: 3-[2-[(6-bromo-2-methoxy-1-naphthyl)methylthio]ethylcarbamoyl]-2-naphthoic acid Formula: C26H22BrNO4S MolecularWeight: 524.42618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CSCCNC(=O)C3=CC4=CC=CC=C4C=C3C(=O)O

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CSCCNC(=O)C3=CC4=CC=CC=C4C=C3C(=O)O

InChI

InChI=1S/C26H22BrNO4S/c1-32-24-9-6-18-12-19(27)7-8-20(18)23(24)15-33-11-10-28-25(29)21-13-16-4-2-3-5-17(16)14-22(21)26(30)31/h2-9,12-14H,10-11,15H2,1H3,(H,28,29)(H,30,31)