2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-phenyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-phenyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitro-phenyl]thiazolidine-4-carboxylic acid CAS Name: 2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-3-nitrophenyl]-4-thiazolidinecarboxylic acid IUPAC Name: 2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-nitrophenyl]-1,3-thiazolidine-4-carboxylic acid Traditional Name: 2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-3-nitro-phenyl]thiazolidine-4-carboxylic acid Formula: C13H12N4O4S3 MolecularWeight: 384.45378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC2=C(C=C(C=C2)C3NC(CS3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)SC2=C(C=C(C=C2)C3NC(CS3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O4S3/c1-6-15-16-13(23-6)24-10-3-2-7(4-9(10)17(20)21)11-14-8(5-22-11)12(18)19/h2-4,8,11,14H,5H2,1H3,(H,18,19)