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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)C(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C19H13NO5S2/c21-17-15(9-11-6-7-13-14(8-11)25-10-24-13)27-19(26)20(17)16(18(22)23)12-4-2-1-3-5-12/h1-9,16H,10H2,(H,22,23)/b15-9-