[6-azanyl-2-(2-hydroxyethyl)-1,3-benzodioxol-5-yl] 5-(1,2-dithiolan-3-yl)pentanoate

Systemtic Name: [6-azanyl-2-(2-hydroxyethyl)-1,3-benzodioxol-5-yl] 5-(1,2-dithiolan-3-yl)pentanoate Openeye Name: [6-amino-2-(2-hydroxyethyl)-1,3-benzodioxol-5-yl] 5-(dithiolan-3-yl)pentanoate CAS Name: 5-(3-dithiolanyl)pentanoic acid [6-amino-2-(2-hydroxyethyl)-1,3-benzodioxol-5-yl] ester IUPAC Name: [6-amino-2-(2-hydroxyethyl)-1,3-benzodioxol-5-yl] 5-(dithiolan-3-yl)pentanoate Traditional Name: 5-(dithiolan-3-yl)valeric acid [6-amino-2-(2-hydroxyethyl)-1,3-benzodioxol-5-yl] ester Formula: C17H23NO5S2 MolecularWeight: 385.49822

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Descriptors Computed from Structure

Canonical SMILES:

C1CSSC1CCCCC(=O)OC2=CC3=C(C=C2N)OC(O3)CCO

Isomeric SMILES

C1CSSC1CCCCC(=O)OC2=CC3=C(C=C2N)OC(O3)CCO

InChI

InChI=1S/C17H23NO5S2/c18-12-9-14-15(23-17(22-14)5-7-19)10-13(12)21-16(20)4-2-1-3-11-6-8-24-25-11/h9-11,17,19H,1-8,18H2