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

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

COCCCCCCOC1=C2C(=C(C(=C1C3=NN=CS3)C4=CC=CC=C4)N5CCCCC5)N(N=N2)OC(=O)C6=CC=CC=C6

Isomeric SMILES

COCCCCCCOC1=C2C(=C(C(=C1C3=NN=CS3)C4=CC=CC=C4)N5CCCCC5)N(N=N2)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C33H36N6O4S/c1-41-21-13-2-3-14-22-42-31-27(32-36-34-23-44-32)26(24-15-7-4-8-16-24)29(38-19-11-6-12-20-38)30-28(31)35-37-39(30)43-33(40)25-17-9-5-10-18-25/h4-5,7-10,15-18,23H,2-3,6,11-14,19-22H2,1H3