2-[[5-[(4-chloranylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]carbamoyl]cyclohexanecarboxylic acid Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CCC(C(C1)C(=O)NC2=NN=C(S2)COC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C17H18ClN3O4S/c18-10-5-7-11(8-6-10)25-9-14-20-21-17(26-14)19-15(22)12-3-1-2-4-13(12)16(23)24/h5-8,12-13H,1-4,9H2,(H,23,24)(H,19,21,22)