methyl 2-[1-[5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3-benzoxazole-5-carboxylate

Systemtic Name: methyl 2-[1-[5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3-benzoxazole-5-carboxylate Openeye Name: methyl 2-[1-[5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]-4-piperidyl]-1,3-benzoxazole-5-carboxylate CAS Name: 2-[1-[5-[oxo(3-thiazolidinyl)methyl]-3-pyrrolidinyl]-4-piperidinyl]-1,3-benzoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[1-[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]piperidin-4-yl]-1,3-benzoxazole-5-carboxylate Traditional Name: 2-[1-[5-(thiazolidine-3-carbonyl)pyrrolidin-3-yl]-4-piperidyl]-1,3-benzoxazole-5-carboxylic acid methyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(=N2)C3CCN(CC3)C4CC(NC4)C(=O)N5CCSC5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC(=N2)C3CCN(CC3)C4CC(NC4)C(=O)N5CCSC5

InChI

InChI=1S/C22H28N4O4S/c1-29-22(28)15-2-3-19-17(10-15)24-20(30-19)14-4-6-25(7-5-14)16-11-18(23-12-16)21(27)26-8-9-31-13-26/h2-3,10,14,16,18,23H,4-9,11-13H2,1H3