3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-3-oxidanyl-butanoate

Systemtic Name: 3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-3-oxidanyl-butanoate Openeye Name: 3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-hydroxy-butanoate CAS Name: 2-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-3-hydroxybutanoic acid 3-mercaptopropyl ester IUPAC Name: 3-sulfanylpropyl 2-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-3-hydroxybutanoate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-3-hydroxy-butyric acid 3-mercaptopropyl ester Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OCCCS)NC(=O)C1COC2=CC=CC=C2O1)O

Isomeric SMILES

CC(C(C(=O)OCCCS)NC(=O)C1COC2=CC=CC=C2O1)O

InChI

InChI=1S/C16H21NO6S/c1-10(18)14(16(20)21-7-4-8-24)17-15(19)13-9-22-11-5-2-3-6-12(11)23-13/h2-3,5-6,10,13-14,18,24H,4,7-9H2,1H3,(H,17,19)