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

Systemtic Name: 3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-3-naphthalen-2-yl-propanoate Openeye Name: 3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-(2-naphthyl)propanoate CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-3-(2-naphthalenyl)propanoic acid 3-mercaptopropyl ester IUPAC Name: 3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-naphthalen-2-ylpropanoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-3-(2-naphthyl)propionic acid 3-mercaptopropyl ester Formula: C25H25NO5S MolecularWeight: 451.5347

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)OCCCS

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)OCCCS

InChI

InChI=1S/C25H25NO5S/c27-24(23-16-30-21-8-3-4-9-22(21)31-23)26-20(25(28)29-12-5-13-32)15-17-10-11-18-6-1-2-7-19(18)14-17/h1-4,6-11,14,20,23,32H,5,12-13,15-16H2,(H,26,27)