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

Systemtic Name: 3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-3-(1H-indol-3-yl)propanoate Openeye Name: 3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-3-(1H-indol-3-yl)propanoic acid 3-mercaptopropyl ester IUPAC Name: 3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-(1H-indol-3-yl)propanoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-3-(1H-indol-3-yl)propionic acid 3-mercaptopropyl ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OCCCS

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OCCCS

InChI

InChI=1S/C23H24N2O5S/c26-22(21-14-29-19-8-3-4-9-20(19)30-21)25-18(23(27)28-10-5-11-31)12-15-13-24-17-7-2-1-6-16(15)17/h1-4,6-9,13,18,21,24,31H,5,10-12,14H2,(H,25,26)