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

Systemtic Name: 4-methylsulfanyl-2-[(5E)-4-oxidanylidene-5-(quinoxalin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(5E)-4-oxo-5-(quinoxalin-2-ylmethylene)-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: 4-(methylthio)-2-[(5E)-4-oxo-5-(2-quinoxalinylmethylidene)-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(5E)-4-oxo-5-(quinoxalin-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: 2-[(5E)-4-keto-5-(quinoxalin-2-ylmethylene)-2-thioxo-thiazolidin-3-yl]-4-(methylthio)butyric acid Formula: C17H15N3O3S3 MolecularWeight: 405.5143

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N1C(=O)C(=CC2=NC3=CC=CC=C3N=C2)SC1=S

Isomeric SMILES

CSCCC(C(=O)O)N1C(=O)/C(=C\C2=NC3=CC=CC=C3N=C2)/SC1=S

InChI

InChI=1S/C17H15N3O3S3/c1-25-7-6-13(16(22)23)20-15(21)14(26-17(20)24)8-10-9-18-11-4-2-3-5-12(11)19-10/h2-5,8-9,13H,6-7H2,1H3,(H,22,23)/b14-8+