(2R)-2-[(5E)-4-oxidanylidene-5-(quinoxalin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid

Systemtic Name: (2R)-2-[(5E)-4-oxidanylidene-5-(quinoxalin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Openeye Name: (2R)-2-[(5E)-4-oxo-5-(quinoxalin-6-ylmethylene)-2-thioxo-thiazolidin-3-yl]pentanedioic acid CAS Name: (2R)-2-[(5E)-4-oxo-5-(6-quinoxalinylmethylidene)-2-sulfanylidene-3-thiazolidinyl]pentanedioic acid IUPAC Name: (2R)-2-[(5E)-4-oxo-5-(quinoxalin-6-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanedioic acid Traditional Name: (2R)-2-[(5E)-4-keto-5-(quinoxalin-6-ylmethylene)-2-thioxo-thiazolidin-3-yl]glutaric acid Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC=CN=C2C=C1C=C3C(=O)N(C(=S)S3)C(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC2=NC=CN=C2C=C1/C=C/3\C(=O)N(C(=S)S3)[C@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C17H13N3O5S2/c21-14(22)4-3-12(16(24)25)20-15(23)13(27-17(20)26)8-9-1-2-10-11(7-9)19-6-5-18-10/h1-2,5-8,12H,3-4H2,(H,21,22)(H,24,25)/b13-8+/t12-/m1/s1