4-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[(6-bromo-2-methoxy-1-naphthyl)methylsulfanyl]ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[(6-bromo-2-methoxy-1-naphthalenyl)methylthio]ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[(6-bromo-2-methoxynaphthalen-1-yl)methylsulfanyl]ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-[(6-bromo-2-methoxy-1-naphthyl)methylthio]ethylamino]-4-keto-butyric acid Formula: C18H20BrNO4S MolecularWeight: 426.3247

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CSCCNC(=O)CCC(=O)O

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(C=C2)Br)CSCCNC(=O)CCC(=O)O

InChI

InChI=1S/C18H20BrNO4S/c1-24-16-5-2-12-10-13(19)3-4-14(12)15(16)11-25-9-8-20-17(21)6-7-18(22)23/h2-5,10H,6-9,11H2,1H3,(H,20,21)(H,22,23)