[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] octanoate

Systemtic Name: [4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] octanoate Openeye Name: [4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] octanoate CAS Name: octanoic acid [4-[[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] octanoate Traditional Name: caprylic acid [4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CC

InChI

InChI=1S/C19H25N3O3S/c1-3-5-6-7-8-9-17(23)25-15-12-10-14(11-13-15)18(24)20-19-22-21-16(4-2)26-19/h10-13H,3-9H2,1-2H3,(H,20,22,24)