3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-2-naphthalen-1-yl-ethanoate

Systemtic Name: 3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-2-naphthalen-1-yl-ethanoate Openeye Name: 3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-(1-naphthyl)acetate CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-2-(1-naphthalenyl)acetic acid 3-mercaptopropyl ester IUPAC Name: 3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-2-naphthalen-1-ylacetate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-2-(1-naphthyl)acetic acid 3-mercaptopropyl ester Formula: C24H23NO5S MolecularWeight: 437.50812

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC(C3=CC=CC4=CC=CC=C43)C(=O)OCCCS

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)NC(C3=CC=CC4=CC=CC=C43)C(=O)OCCCS

InChI

InChI=1S/C24H23NO5S/c26-23(21-15-29-19-11-3-4-12-20(19)30-21)25-22(24(27)28-13-6-14-31)18-10-5-8-16-7-1-2-9-17(16)18/h1-5,7-12,21-22,31H,6,13-15H2,(H,25,26)