2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid

Systemtic Name: 2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid Openeye Name: 2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]pentanoic acid CAS Name: 2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanoic acid IUPAC Name: 2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid Traditional Name: 2-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]valeric acid Formula: C16H15NO5S2 MolecularWeight: 365.424

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)N1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S

Isomeric SMILES

CCCC(C(=O)O)N1C(=O)/C(=C/C2=CC3=C(C=C2)OCO3)/SC1=S

InChI

InChI=1S/C16H15NO5S2/c1-2-3-10(15(19)20)17-14(18)13(24-16(17)23)7-9-4-5-11-12(6-9)22-8-21-11/h4-7,10H,2-3,8H2,1H3,(H,19,20)/b13-7-