2-[2-[3-(butylcarbamoyl)-8-(2-methylpropoxycarbonylamino)-4-oxidanyl-naphthalen-1-yl]oxyethylsulfanyl]ethanoic acid

Systemtic Name: 2-[2-[3-(butylcarbamoyl)-8-(2-methylpropoxycarbonylamino)-4-oxidanyl-naphthalen-1-yl]oxyethylsulfanyl]ethanoic acid Openeye Name: 2-[2-[[3-(butylcarbamoyl)-4-hydroxy-8-(isobutoxycarbonylamino)-1-naphthyl]oxy]ethylsulfanyl]acetic acid CAS Name: 2-[2-[[3-[butylamino(oxo)methyl]-4-hydroxy-8-[[2-methylpropoxy(oxo)methyl]amino]-1-naphthalenyl]oxy]ethylthio]acetic acid IUPAC Name: 2-[2-[3-(butylcarbamoyl)-4-hydroxy-8-(2-methylpropoxycarbonylamino)naphthalen-1-yl]oxyethylsulfanyl]acetic acid Traditional Name: 2-[2-[3-(butylcarbamoyl)-4-hydroxy-8-(isobutoxycarbonylamino)-1-naphthoxy]ethylthio]acetic acid Formula: C24H32N2O7S MolecularWeight: 492.58508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=C2C(=C1O)C=CC=C2NC(=O)OCC(C)C)OCCSCC(=O)O

Isomeric SMILES

CCCCNC(=O)C1=CC(=C2C(=C1O)C=CC=C2NC(=O)OCC(C)C)OCCSCC(=O)O

InChI

InChI=1S/C24H32N2O7S/c1-4-5-9-25-23(30)17-12-19(32-10-11-34-14-20(27)28)21-16(22(17)29)7-6-8-18(21)26-24(31)33-13-15(2)3/h6-8,12,15,29H,4-5,9-11,13-14H2,1-3H3,(H,25,30)(H,26,31)(H,27,28)