[7-acetyloxy-6-[5-(thiophen-2-ylmethylsulfanyl)pentylcarbamoyl]naphthalen-1-yl] ethanoate

Systemtic Name: [7-acetyloxy-6-[5-(thiophen-2-ylmethylsulfanyl)pentylcarbamoyl]naphthalen-1-yl] ethanoate Openeye Name: [7-acetoxy-6-[5-(2-thienylmethylsulfanyl)pentylcarbamoyl]-1-naphthyl] acetate CAS Name: acetic acid [7-acetyloxy-6-[oxo-[5-(thiophen-2-ylmethylthio)pentylamino]methyl]-1-naphthalenyl] ester IUPAC Name: [7-acetyloxy-6-[5-(thiophen-2-ylmethylsulfanyl)pentylcarbamoyl]naphthalen-1-yl] acetate Traditional Name: acetic acid [7-acetoxy-6-[5-(2-thenylthio)pentylcarbamoyl]-1-naphthyl] ester Formula: C25H27NO5S2 MolecularWeight: 485.61558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC2=CC(=C(C=C21)OC(=O)C)C(=O)NCCCCCSCC3=CC=CS3

Isomeric SMILES

CC(=O)OC1=CC=CC2=CC(=C(C=C21)OC(=O)C)C(=O)NCCCCCSCC3=CC=CS3

InChI

InChI=1S/C25H27NO5S2/c1-17(27)30-23-10-6-8-19-14-22(24(15-21(19)23)31-18(2)28)25(29)26-11-4-3-5-12-32-16-20-9-7-13-33-20/h6-10,13-15H,3-5,11-12,16H2,1-2H3,(H,26,29)