[4-[5-(4-pentoxyphenyl)-3H-1,2,3-thiadiazol-2-yl]phenyl] 2-hexoxypropanoate

Systemtic Name: [4-[5-(4-pentoxyphenyl)-3H-1,2,3-thiadiazol-2-yl]phenyl] 2-hexoxypropanoate Openeye Name: [4-[5-(4-pentoxyphenyl)-3H-thiadiazol-2-yl]phenyl] 2-hexoxypropanoate CAS Name: 2-hexoxypropanoic acid [4-[5-(4-pentoxyphenyl)-3H-thiadiazol-2-yl]phenyl] ester IUPAC Name: [4-[5-(4-pentoxyphenyl)-3H-thiadiazol-2-yl]phenyl] 2-hexoxypropanoate Traditional Name: 2-hexoxypropionic acid [4-[5-(4-amoxyphenyl)-3H-thiadiazol-2-yl]phenyl] ester Formula: C28H38N2O4S MolecularWeight: 498.67732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(C)C(=O)OC1=CC=C(C=C1)N2NC=C(S2)C3=CC=C(C=C3)OCCCCC

Isomeric SMILES

CCCCCCOC(C)C(=O)OC1=CC=C(C=C1)N2NC=C(S2)C3=CC=C(C=C3)OCCCCC

InChI

InChI=1S/C28H38N2O4S/c1-4-6-8-10-19-32-22(3)28(31)34-26-17-13-24(14-18-26)30-29-21-27(35-30)23-11-15-25(16-12-23)33-20-9-7-5-2/h11-18,21-22,29H,4-10,19-20H2,1-3H3