tert-butyl 4-[4-(6-methoxy-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)-3H-pyrrolizin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(6-methoxy-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)-3H-pyrrolizin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[4-(6-methoxy-1,3-benzoxazol-2-yl)-1-piperidyl]-2-(thiazolidine-3-carbonyl)-3H-pyrrolizin-4-ium-1-carboxylate CAS Name: 4-[4-(6-methoxy-1,3-benzoxazol-2-yl)-1-piperidinyl]-2-[oxo(3-thiazolidinyl)methyl]-3H-pyrrolizin-4-ium-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(6-methoxy-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)-3H-pyrrolizin-4-ium-1-carboxylate Traditional Name: 4-[4-(6-methoxy-1,3-benzoxazol-2-yl)piperidino]-2-(thiazolidine-3-carbonyl)-3H-pyrrolizin-4-ium-1-carboxylic acid tert-butyl ester Formula: C29H35N4O5S+ MolecularWeight: 551.677

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C[N+]2(C1=CC=C2)N3CCC(CC3)C4=NC5=C(O4)C=C(C=C5)OC)C(=O)N6CCSC6

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C[N+]2(C1=CC=C2)N3CCC(CC3)C4=NC5=C(O4)C=C(C=C5)OC)C(=O)N6CCSC6

InChI

InChI=1S/C29H35N4O5S/c1-29(2,3)38-28(35)25-21(27(34)31-13-15-39-18-31)17-33(14-5-6-23(25)33)32-11-9-19(10-12-32)26-30-22-8-7-20(36-4)16-24(22)37-26/h5-8,14,16,19H,9-13,15,17-18H2,1-4H3/q+1