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

Systemtic Name: 3-[4-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid Openeye Name: 3-[4-[5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]butanoylamino]benzoic acid CAS Name: 3-[[4-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[4-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoic acid Traditional Name: 3-[4-(4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl)butanoylamino]benzoic acid Formula: C22H18N2O6S2 MolecularWeight: 470.51812

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCCC(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)CCCC(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C22H18N2O6S2/c25-19(23-15-4-1-3-14(11-15)21(27)28)5-2-8-24-20(26)18(32-22(24)31)10-13-6-7-16-17(9-13)30-12-29-16/h1,3-4,6-7,9-11H,2,5,8,12H2,(H,23,25)(H,27,28)