methyl (6Z)-6-hydroxyimino-5-naphthalen-2-ylsulfanyl-heptanoate

Systemtic Name: methyl (6Z)-6-hydroxyimino-5-naphthalen-2-ylsulfanyl-heptanoate Openeye Name: methyl (6Z)-6-hydroxyimino-5-(2-naphthylsulfanyl)heptanoate CAS Name: (6Z)-6-hydroxyimino-5-(2-naphthalenylthio)heptanoic acid methyl ester IUPAC Name: methyl (6Z)-6-hydroxyimino-5-naphthalen-2-ylsulfanylheptanoate Traditional Name: (6Z)-6-hydroximino-5-(2-naphthylthio)enanthic acid methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NO)C(CCCC(=O)OC)SC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

C/C(=N/O)/C(CCCC(=O)OC)SC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C18H21NO3S/c1-13(19-21)17(8-5-9-18(20)22-2)23-16-11-10-14-6-3-4-7-15(14)12-16/h3-4,6-7,10-12,17,21H,5,8-9H2,1-2H3/b19-13-