[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridine-3-carboxylate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-morpholin-4-ylpyridine-3-carboxylate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 2-morpholinopyridine-3-carboxylate CAS Name: 2-(4-morpholinyl)-3-pyridinecarboxylic acid [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate Traditional Name: 2-morpholinonicotinic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=C(N=CC=C3)N4CCOCC4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=C(N=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H25N3O4S/c1-16-8-10-25(18-6-2-3-7-19(18)30-16)20(26)15-29-22(27)17-5-4-9-23-21(17)24-11-13-28-14-12-24/h2-7,9,16H,8,10-15H2,1H3