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

Systemtic Name: (2R)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenyl-propanoate Openeye Name: (2R)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]-3-phenyl-propanoate CAS Name: (2R)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]-3-phenylpropanoate IUPAC Name: (2R)-2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-phenylpropanoate Traditional Name: (2R)-2-[(5Z)-4-keto-5-piperonylidene-2-thioxo-thiazolidin-3-yl]-3-phenyl-propionate Formula: C20H14NO5S2- MolecularWeight: 412.45886

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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(CC4=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@H](CC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C20H15NO5S2/c22-18-17(10-13-6-7-15-16(9-13)26-11-25-15)28-20(27)21(18)14(19(23)24)8-12-4-2-1-3-5-12/h1-7,9-10,14H,8,11H2,(H,23,24)/p-1/b17-10-/t14-/m1/s1