[8-oxidanyl-6-[1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propylcarbamoyl]naphthalen-1-yl] ethanoate

Systemtic Name: [8-oxidanyl-6-[1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propylcarbamoyl]naphthalen-1-yl] ethanoate Openeye Name: [8-hydroxy-6-[1-[2-(2-thienylmethylsulfanyl)ethylamino]propylcarbamoyl]-1-naphthyl] acetate CAS Name: acetic acid [8-hydroxy-6-[oxo-[1-[2-(thiophen-2-ylmethylthio)ethylamino]propylamino]methyl]-1-naphthalenyl] ester IUPAC Name: [8-hydroxy-6-[1-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]propylcarbamoyl]naphthalen-1-yl] acetate Traditional Name: acetic acid [8-hydroxy-6-[1-[2-(2-thenylthio)ethylamino]propylcarbamoyl]-1-naphthyl] ester Formula: C23H26N2O4S2 MolecularWeight: 458.59354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(NCCSCC1=CC=CS1)NC(=O)C2=CC(=C3C(=C2)C=CC=C3OC(=O)C)O

Isomeric SMILES

CCC(NCCSCC1=CC=CS1)NC(=O)C2=CC(=C3C(=C2)C=CC=C3OC(=O)C)O

InChI

InChI=1S/C23H26N2O4S2/c1-3-21(24-9-11-30-14-18-7-5-10-31-18)25-23(28)17-12-16-6-4-8-20(29-15(2)26)22(16)19(27)13-17/h4-8,10,12-13,21,24,27H,3,9,11,14H2,1-2H3,(H,25,28)