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ethyl 1-[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]carbonylpiperidine-3-carboxylate
ethyl 1-[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]carbonylpiperidine-3-carboxylate
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Descriptors Computed from Structure
Canonical SMILES:
CCOC(=O)C1CCCN(C1)C(=O)C2CCCN2C3=NC(=NS3)CC4=CC=CC=C4
Isomeric SMILES
CCOC(=O)C1CCCN(C1)C(=O)C2CCCN2C3=NC(=NS3)CC4=CC=CC=C4
InChI
InChI=1S/C22H28N4O3S/c1-2-29-21(28)17-10-6-12-25(15-17)20(27)18-11-7-13-26(18)22-23-19(24-30-22)14-16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3
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