6-[5-(7-phenylheptanoyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxylic acid

Systemtic Name: 6-[5-(7-phenylheptanoyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxylic acid Openeye Name: 6-[5-(7-phenylheptanoyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxylic acid CAS Name: 6-[5-(1-oxo-7-phenylheptyl)-1,3,4-thiadiazol-2-yl]-2-pyridinecarboxylic acid IUPAC Name: 6-[5-(7-phenylheptanoyl)-1,3,4-thiadiazol-2-yl]pyridine-2-carboxylic acid Traditional Name: 6-[5-(7-phenylheptanoyl)-1,3,4-thiadiazol-2-yl]picolinic acid Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCC(=O)C2=NN=C(S2)C3=NC(=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCC(=O)C2=NN=C(S2)C3=NC(=CC=C3)C(=O)O

InChI

InChI=1S/C21H21N3O3S/c25-18(14-7-2-1-4-9-15-10-5-3-6-11-15)20-24-23-19(28-20)16-12-8-13-17(22-16)21(26)27/h3,5-6,8,10-13H,1-2,4,7,9,14H2,(H,26,27)