[7-acetyloxy-6-[3-(thiophen-2-ylmethylsulfanyl)propylcarbamoyl]naphthalen-1-yl] ethanoate

Systemtic Name: [7-acetyloxy-6-[3-(thiophen-2-ylmethylsulfanyl)propylcarbamoyl]naphthalen-1-yl] ethanoate Openeye Name: [7-acetoxy-6-[3-(2-thienylmethylsulfanyl)propylcarbamoyl]-1-naphthyl] acetate CAS Name: acetic acid [7-acetyloxy-6-[oxo-[3-(thiophen-2-ylmethylthio)propylamino]methyl]-1-naphthalenyl] ester IUPAC Name: [7-acetyloxy-6-[3-(thiophen-2-ylmethylsulfanyl)propylcarbamoyl]naphthalen-1-yl] acetate Traditional Name: acetic acid [7-acetoxy-6-[3-(2-thenylthio)propylcarbamoyl]-1-naphthyl] ester Formula: C23H23NO5S2 MolecularWeight: 457.56242

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC2=CC(=C(C=C21)OC(=O)C)C(=O)NCCCSCC3=CC=CS3

Isomeric SMILES

CC(=O)OC1=CC=CC2=CC(=C(C=C21)OC(=O)C)C(=O)NCCCSCC3=CC=CS3

InChI

InChI=1S/C23H23NO5S2/c1-15(25)28-21-8-3-6-17-12-20(22(13-19(17)21)29-16(2)26)23(27)24-9-5-10-30-14-18-7-4-11-31-18/h3-4,6-8,11-13H,5,9-10,14H2,1-2H3,(H,24,27)