[4-(5-methoxypentoxymethyl)-6-phenyl-7-piperidin-1-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate

Systemtic Name: [4-(5-methoxypentoxymethyl)-6-phenyl-7-piperidin-1-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate Openeye Name: [4-(5-methoxypentoxymethyl)-6-phenyl-7-(1-piperidyl)-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate CAS Name: benzoic acid [4-(5-methoxypentoxymethyl)-6-phenyl-7-(1-piperidinyl)-5-(1,3,4-thiadiazol-2-yl)-1-benzotriazolyl] ester IUPAC Name: [4-(5-methoxypentoxymethyl)-6-phenyl-7-piperidin-1-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate Traditional Name: benzoic acid [4-(5-methoxypentoxymethyl)-6-phenyl-7-piperidino-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] ester Formula: C33H36N6O4S MolecularWeight: 612.74174

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCOCC1=C2C(=C(C(=C1C3=NN=CS3)C4=CC=CC=C4)N5CCCCC5)N(N=N2)OC(=O)C6=CC=CC=C6

Isomeric SMILES

COCCCCCOCC1=C2C(=C(C(=C1C3=NN=CS3)C4=CC=CC=C4)N5CCCCC5)N(N=N2)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C33H36N6O4S/c1-41-20-12-5-13-21-42-22-26-28(32-36-34-23-44-32)27(24-14-6-2-7-15-24)30(38-18-10-4-11-19-38)31-29(26)35-37-39(31)43-33(40)25-16-8-3-9-17-25/h2-3,6-9,14-17,23H,4-5,10-13,18-22H2,1H3