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

Systemtic Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methyl-benzoic acid Openeye Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid CAS Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-4-methylbenzoic acid IUPAC Name: 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylbenzoic acid Traditional Name: 3-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid Formula: C19H13NO5S2 MolecularWeight: 399.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)C(=CC3=CC4=C(C=C3)OCO4)SC2=S

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N2C(=O)/C(=C/C3=CC4=C(C=C3)OCO4)/SC2=S

InChI

InChI=1S/C19H13NO5S2/c1-10-2-4-12(18(22)23)8-13(10)20-17(21)16(27-19(20)26)7-11-3-5-14-15(6-11)25-9-24-14/h2-8H,9H2,1H3,(H,22,23)/b16-7-