(2S)-3-[(2S)-2-methyl-3-sulfanyl-propanoyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: (2S)-3-[(2S)-2-methyl-3-sulfanyl-propanoyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: (2S)-3-[(2S)-2-methyl-3-sulfanyl-propanoyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylic acid CAS Name: (2S)-3-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: (2S)-3-[(2S)-2-methyl-3-sulfanylpropanoyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: (2S)-3-[(2S)-3-mercapto-2-methyl-propanoyl]-5-phenyl-2H-1,3,4-thiadiazole-2-carboxylic acid Formula: C13H14N2O3S2 MolecularWeight: 310.39186

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1C(SC(=N1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

C[C@H](CS)C(=O)N1[C@@H](SC(=N1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C13H14N2O3S2/c1-8(7-19)11(16)15-12(13(17)18)20-10(14-15)9-5-3-2-4-6-9/h2-6,8,12,19H,7H2,1H3,(H,17,18)/t8-,12+/m1/s1