tert-butyl 2-[8-methoxy-2-(4-methoxyphenyl)-5-methyl-3-oxidanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-6-yl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[8-methoxy-2-(4-methoxyphenyl)-5-methyl-3-oxidanyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-6-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[3-hydroxy-8-methoxy-2-(4-methoxyphenyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-6-yl]pyrrolidine-1-carboxylate CAS Name: 2-[3-hydroxy-8-methoxy-2-(4-methoxyphenyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-6-yl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-hydroxy-8-methoxy-2-(4-methoxyphenyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-6-yl]pyrrolidine-1-carboxylate Traditional Name: 2-[3-hydroxy-4-keto-8-methoxy-2-(4-methoxyphenyl)-5-methyl-2,3-dihydro-1,5-benzothiazepin-6-yl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H34N2O6S MolecularWeight: 514.63366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C2=CC(=CC3=C2N(C(=O)C(C(S3)C4=CC=C(C=C4)OC)O)C)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C2=CC(=CC3=C2N(C(=O)C(C(S3)C4=CC=C(C=C4)OC)O)C)OC

InChI

InChI=1S/C27H34N2O6S/c1-27(2,3)35-26(32)29-13-7-8-20(29)19-14-18(34-6)15-21-22(19)28(4)25(31)23(30)24(36-21)16-9-11-17(33-5)12-10-16/h9-12,14-15,20,23-24,30H,7-8,13H2,1-6H3