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

Systemtic Name: [4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] octanoate Openeye Name: [4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] octanoate CAS Name: octanoic acid [4-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] octanoate Traditional Name: caprylic acid [4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-3-4-5-6-7-8-16(22)24-15-11-9-14(10-12-15)17(23)19-18-21-20-13(2)25-18/h9-12H,3-8H2,1-2H3,(H,19,21,23)