[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2-naphthalen-2-ylsulfanylethanoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 2-(2-naphthylsulfanyl)acetate CAS Name: 2-(2-naphthalenylthio)acetic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-naphthalen-2-ylsulfanylacetate Traditional Name: 2-(2-naphthylthio)acetic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(=O)NCCCC1=CC=C(C=C1)C(=O)COC(=O)CSC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C25H25NO4S/c1-18(27)26-14-4-5-19-8-10-21(11-9-19)24(28)16-30-25(29)17-31-23-13-12-20-6-2-3-7-22(20)15-23/h2-3,6-13,15H,4-5,14,16-17H2,1H3,(H,26,27)