4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-5-oxidanylidene-5-(3-sulfanylpropoxy)pentanoic acid

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonylamino)-5-oxidanylidene-5-(3-sulfanylpropoxy)pentanoic acid Openeye Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-5-oxo-5-(3-sulfanylpropoxy)pentanoic acid CAS Name: 4-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]-5-(3-mercaptopropoxy)-5-oxopentanoic acid IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)-5-oxo-5-(3-sulfanylpropoxy)pentanoic acid Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-3-carbonylamino)-5-keto-5-(3-mercaptopropoxy)valeric acid Formula: C17H21NO7S MolecularWeight: 383.41614

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC(CCC(=O)O)C(=O)OCCCS

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C(=O)NC(CCC(=O)O)C(=O)OCCCS

InChI

InChI=1S/C17H21NO7S/c19-15(20)7-6-11(17(22)23-8-3-9-26)18-16(21)14-10-24-12-4-1-2-5-13(12)25-14/h1-2,4-5,11,14,26H,3,6-10H2,(H,18,21)(H,19,20)