6-[8-acetamido-3-(dimethylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]sulfanylhexyl ethanoate

Systemtic Name: 6-[8-acetamido-3-(dimethylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]sulfanylhexyl ethanoate Openeye Name: 6-[[8-acetamido-3-(dimethylcarbamoyl)-4-hydroxy-1-naphthyl]sulfanyl]hexyl acetate CAS Name: acetic acid 6-[[8-acetamido-3-[dimethylamino(oxo)methyl]-4-hydroxy-1-naphthalenyl]thio]hexyl ester IUPAC Name: 6-[8-acetamido-3-(dimethylcarbamoyl)-4-hydroxynaphthalen-1-yl]sulfanylhexyl acetate Traditional Name: acetic acid 6-[[8-acetamido-3-(dimethylcarbamoyl)-4-hydroxy-1-naphthyl]thio]hexyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C(C(=CC(=C21)SCCCCCCOC(=O)C)C(=O)N(C)C)O

Isomeric SMILES

CC(=O)NC1=CC=CC2=C(C(=CC(=C21)SCCCCCCOC(=O)C)C(=O)N(C)C)O

InChI

InChI=1S/C23H30N2O5S/c1-15(26)24-19-11-9-10-17-21(19)20(14-18(22(17)28)23(29)25(3)4)31-13-8-6-5-7-12-30-16(2)27/h9-11,14,28H,5-8,12-13H2,1-4H3,(H,24,26)