3-[2-[5-(2-ethylbutanoylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoic acid

Systemtic Name: 3-[2-[5-(2-ethylbutanoylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoic acid Openeye Name: 3-[2-[5-(2-ethylbutanoylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoic acid CAS Name: 3-[2-[5-[(2-ethyl-1-oxobutyl)amino]-1,3,4-thiadiazol-2-yl]phenyl]benzoic acid IUPAC Name: 3-[2-[5-(2-ethylbutanoylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoic acid Traditional Name: 3-[2-[5-(2-ethylbutanoylamino)-1,3,4-thiadiazol-2-yl]phenyl]benzoic acid Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NC1=NN=C(S1)C2=CC=CC=C2C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

CCC(CC)C(=O)NC1=NN=C(S1)C2=CC=CC=C2C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C21H21N3O3S/c1-3-13(4-2)18(25)22-21-24-23-19(28-21)17-11-6-5-10-16(17)14-8-7-9-15(12-14)20(26)27/h5-13H,3-4H2,1-2H3,(H,26,27)(H,22,24,25)