[4-[2-(4-octoxyphenyl)-3H-1,2,3-thiadiazol-5-yl]phenyl] 2-methylbutanoate

Systemtic Name: [4-[2-(4-octoxyphenyl)-3H-1,2,3-thiadiazol-5-yl]phenyl] 2-methylbutanoate Openeye Name: [4-[2-(4-octoxyphenyl)-3H-thiadiazol-5-yl]phenyl] 2-methylbutanoate CAS Name: 2-methylbutanoic acid [4-[2-(4-octoxyphenyl)-3H-thiadiazol-5-yl]phenyl] ester IUPAC Name: [4-[2-(4-octoxyphenyl)-3H-thiadiazol-5-yl]phenyl] 2-methylbutanoate Traditional Name: 2-methylbutyric acid [4-[2-(4-octoxyphenyl)-3H-thiadiazol-5-yl]phenyl] ester Formula: C27H36N2O3S MolecularWeight: 468.65134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)N2NC=C(S2)C3=CC=C(C=C3)OC(=O)C(C)CC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)N2NC=C(S2)C3=CC=C(C=C3)OC(=O)C(C)CC

InChI

InChI=1S/C27H36N2O3S/c1-4-6-7-8-9-10-19-31-24-17-13-23(14-18-24)29-28-20-26(33-29)22-11-15-25(16-12-22)32-27(30)21(3)5-2/h11-18,20-21,28H,4-10,19H2,1-3H3