5-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]ethylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-[(6-bromanyl-2-methoxy-naphthalen-1-yl)methylsulfanyl]ethylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[2-[(6-bromo-2-methoxy-1-naphthyl)methylsulfanyl]ethylamino]-5-oxo-pentanoic acid CAS Name: 5-[2-[(6-bromo-2-methoxy-1-naphthalenyl)methylthio]ethylamino]-5-oxopentanoic acid IUPAC Name: 5-[2-[(6-bromo-2-methoxynaphthalen-1-yl)methylsulfanyl]ethylamino]-5-oxopentanoic acid Traditional Name: 5-[2-[(6-bromo-2-methoxy-1-naphthyl)methylthio]ethylamino]-5-keto-valeric acid Formula: C19H22BrNO4S MolecularWeight: 440.35128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO4S/c1-25-17-8-5-13-11-14(20)6-7-15(13)16(17)12-26-10-9-21-18(22)3-2-4-19(23)24/h5-8,11H,2-4,9-10,12H2,1H3,(H,21,22)(H,23,24)