[4-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl] octanoate

Systemtic Name: [4-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl] octanoate Openeye Name: [4-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl] octanoate CAS Name: octanoic acid [4-[oxo-(1,3,4-thiadiazol-2-ylamino)methyl]phenyl] ester IUPAC Name: [4-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl] octanoate Traditional Name: caprylic acid [4-(1,3,4-thiadiazol-2-ylcarbamoyl)phenyl] ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)NC2=NN=CS2

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)NC2=NN=CS2

InChI

InChI=1S/C17H21N3O3S/c1-2-3-4-5-6-7-15(21)23-14-10-8-13(9-11-14)16(22)19-17-20-18-12-24-17/h8-12H,2-7H2,1H3,(H,19,20,22)