methyl 4-[5-[4-[4-(6-methoxyhexoxy)piperidin-1-yl]phenyl]-1,3,4-thiadiazol-2-yl]benzoate

Systemtic Name: methyl 4-[5-[4-[4-(6-methoxyhexoxy)piperidin-1-yl]phenyl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: methyl 4-[5-[4-[4-(6-methoxyhexoxy)-1-piperidyl]phenyl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[4-[4-(6-methoxyhexoxy)-1-piperidinyl]phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[4-[4-(6-methoxyhexoxy)piperidin-1-yl]phenyl]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[4-[4-(6-methoxyhexoxy)piperidino]phenyl]-1,3,4-thiadiazol-2-yl]benzoic acid methyl ester Formula: C28H35N3O4S MolecularWeight: 509.6602

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCOC1CCN(CC1)C2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COCCCCCCOC1CCN(CC1)C2=CC=C(C=C2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C28H35N3O4S/c1-33-19-5-3-4-6-20-35-25-15-17-31(18-16-25)24-13-11-22(12-14-24)27-30-29-26(36-27)21-7-9-23(10-8-21)28(32)34-2/h7-14,25H,3-6,15-20H2,1-2H3