5-[4-(furan-2-yl)phenyl]-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid

Systemtic Name: 5-[4-(furan-2-yl)phenyl]-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid Openeye Name: 5-[4-(2-furyl)phenyl]-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid CAS Name: 5-[4-(2-furanyl)phenyl]-3-(3-mercapto-1-oxopropyl)-2H-1,3,4-thiadiazole-2-carboxylic acid IUPAC Name: 5-[4-(furan-2-yl)phenyl]-3-(3-sulfanylpropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid Traditional Name: 5-[4-(2-furyl)phenyl]-3-(3-mercaptopropanoyl)-2H-1,3,4-thiadiazole-2-carboxylic acid Formula: C16H14N2O4S2 MolecularWeight: 362.42336

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C2=CC=C(C=C2)C3=NN(C(S3)C(=O)O)C(=O)CCS

Isomeric SMILES

C1=COC(=C1)C2=CC=C(C=C2)C3=NN(C(S3)C(=O)O)C(=O)CCS

InChI

InChI=1S/C16H14N2O4S2/c19-13(7-9-23)18-15(16(20)21)24-14(17-18)11-5-3-10(4-6-11)12-2-1-8-22-12/h1-6,8,15,23H,7,9H2,(H,20,21)