(2R)-2-[(5E)-5-(2H-chromen-3-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioate

Systemtic Name: (2R)-2-[(5E)-5-(2H-chromen-3-ylmethylidene)-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioate Openeye Name: (2R)-2-[(5E)-5-(2H-chromen-3-ylmethylene)-4-oxo-2-thioxo-thiazolidin-3-yl]pentanedioate CAS Name: (2R)-2-[(5E)-5-(2H-1-benzopyran-3-ylmethylidene)-4-oxo-2-sulfanylidene-3-thiazolidinyl]pentanedioate IUPAC Name: (2R)-2-[(5E)-5-(2H-chromen-3-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioate Traditional Name: (2R)-2-[(5E)-5-(2H-chromen-3-ylmethylene)-4-keto-2-thioxo-thiazolidin-3-yl]glutarate Formula: C18H13NO6S2-2 MolecularWeight: 403.42892

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CC=CC=C2O1)C=C3C(=O)N(C(=S)S3)C(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1C(=CC2=CC=CC=C2O1)/C=C/3\C(=O)N(C(=S)S3)[C@H](CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H15NO6S2/c20-15(21)6-5-12(17(23)24)19-16(22)14(27-18(19)26)8-10-7-11-3-1-2-4-13(11)25-9-10/h1-4,7-8,12H,5-6,9H2,(H,20,21)(H,23,24)/p-2/b14-8+/t12-/m1/s1