(2R)-3-methyl-2-[(5Z)-4-oxidanylidene-5-(quinoxalin-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Systemtic Name: (2R)-3-methyl-2-[(5Z)-4-oxidanylidene-5-(quinoxalin-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Openeye Name: (2R)-3-methyl-2-[(5Z)-4-oxo-5-(quinoxalin-5-ylmethylene)-2-thioxo-thiazolidin-3-yl]butanoic acid CAS Name: (2R)-3-methyl-2-[(5Z)-4-oxo-5-(5-quinoxalinylmethylidene)-2-sulfanylidene-3-thiazolidinyl]butanoic acid IUPAC Name: (2R)-3-methyl-2-[(5Z)-4-oxo-5-(quinoxalin-5-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Traditional Name: (2R)-2-[(5Z)-4-keto-5-(quinoxalin-5-ylmethylene)-2-thioxo-thiazolidin-3-yl]-3-methyl-butyric acid Formula: C17H15N3O3S2 MolecularWeight: 373.4493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N1C(=O)C(=CC2=C3C(=CC=C2)N=CC=N3)SC1=S

Isomeric SMILES

CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/C2=C3C(=CC=C2)N=CC=N3)/SC1=S

InChI

InChI=1S/C17H15N3O3S2/c1-9(2)14(16(22)23)20-15(21)12(25-17(20)24)8-10-4-3-5-11-13(10)19-7-6-18-11/h3-9,14H,1-2H3,(H,22,23)/b12-8-/t14-/m1/s1