2-[4-oxidanylidene-5-(quinoxalin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid

Systemtic Name: 2-[4-oxidanylidene-5-(quinoxalin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Openeye Name: 2-[4-oxo-5-(quinoxalin-2-ylmethylene)-2-thioxo-thiazolidin-3-yl]butanedioic acid CAS Name: 2-[4-oxo-5-(2-quinoxalinylmethylidene)-2-sulfanylidene-3-thiazolidinyl]butanedioic acid IUPAC Name: 2-[4-oxo-5-(quinoxalin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid Traditional Name: 2-[4-keto-5-(quinoxalin-2-ylmethylene)-2-thioxo-thiazolidin-3-yl]succinic acid Formula: C16H11N3O5S2 MolecularWeight: 389.40564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CC(=N2)C=C3C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=CC(=N2)C=C3C(=O)N(C(=S)S3)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H11N3O5S2/c20-13(21)6-11(15(23)24)19-14(22)12(26-16(19)25)5-8-7-17-9-3-1-2-4-10(9)18-8/h1-5,7,11H,6H2,(H,20,21)(H,23,24)