tert-butyl N-[(3S,4S)-4-(4-thiophen-2-yl-1,2,3-triazol-1-yl)piperidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3S,4S)-4-(4-thiophen-2-yl-1,2,3-triazol-1-yl)piperidin-3-yl]carbamate Openeye Name: tert-butyl N-[(3S,4S)-4-[4-(2-thienyl)triazol-1-yl]-3-piperidyl]carbamate CAS Name: N-[(3S,4S)-4-(4-thiophen-2-yl-1-triazolyl)-3-piperidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S,4S)-4-(4-thiophen-2-yltriazol-1-yl)piperidin-3-yl]carbamate Traditional Name: N-[(3S,4S)-4-[4-(2-thienyl)triazol-1-yl]-3-piperidyl]carbamic acid tert-butyl ester Formula: C16H23N5O2S MolecularWeight: 349.45112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CNCCC1N2C=C(N=N2)C3=CC=CS3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CNCC[C@@H]1N2C=C(N=N2)C3=CC=CS3

InChI

InChI=1S/C16H23N5O2S/c1-16(2,3)23-15(22)18-11-9-17-7-6-13(11)21-10-12(19-20-21)14-5-4-8-24-14/h4-5,8,10-11,13,17H,6-7,9H2,1-3H3,(H,18,22)/t11-,13-/m0/s1