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

Systemtic Name: 3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: 3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-phenyl-propanoate CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-3-phenylpropanoic acid 3-mercaptopropyl ester IUPAC Name: 3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-phenylpropanoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-3-phenyl-propionic acid 3-mercaptopropyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c23-20(19-14-26-17-9-4-5-10-18(17)27-19)22-16(21(24)25-11-6-12-28)13-15-7-2-1-3-8-15/h1-5,7-10,16,19,28H,6,11-14H2,(H,22,23)