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

Systemtic Name: 3-sulfanylpropyl 3-cyclohexyl-2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)propanoate Openeye Name: 3-sulfanylpropyl 3-cyclohexyl-2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)propanoate CAS Name: 3-cyclohexyl-2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]propanoic acid 3-mercaptopropyl ester IUPAC Name: 3-sulfanylpropyl 3-cyclohexyl-2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)propanoate Traditional Name: 3-cyclohexyl-2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)propionic acid 3-mercaptopropyl ester Formula: C21H29NO5S MolecularWeight: 407.52366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)OCCCS)NC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

C1CCC(CC1)CC(C(=O)OCCCS)NC(=O)C2COC3=CC=CC=C3O2

InChI

InChI=1S/C21H29NO5S/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/h4-5,9-10,15-16,19,28H,1-3,6-8,11-14H2,(H,22,23)