5-[[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid Openeye Name: 5-[[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid CAS Name: 5-[[[5-[(2-methyl-1-oxopropyl)amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[[5-(2-methylpropanoylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[[5-(isobutyrylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-thenoic acid Formula: C12H13N3O3S3 MolecularWeight: 343.44492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NN=C(S1)SCC2=CC=C(S2)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC1=NN=C(S1)SCC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C12H13N3O3S3/c1-6(2)9(16)13-11-14-15-12(21-11)19-5-7-3-4-8(20-7)10(17)18/h3-4,6H,5H2,1-2H3,(H,17,18)(H,13,14,16)