[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(oxolan-2-ylmethoxy)benzoate

Systemtic Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl] 2-(oxolan-2-ylmethoxy)benzoate Openeye Name: [2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl] 2-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 2-(2-oxolanylmethoxy)benzoic 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-(oxolan-2-ylmethoxy)benzoate Traditional Name: 2-(tetrahydrofurfuryloxy)benzoic acid [2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl] ester Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=CC=C3OCC4CCCO4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)COC(=O)C3=CC=CC=C3OCC4CCCO4

InChI

InChI=1S/C24H27NO5S/c1-17-12-13-25(20-9-3-5-11-22(20)31-17)23(26)16-30-24(27)19-8-2-4-10-21(19)29-15-18-7-6-14-28-18/h2-5,8-11,17-18H,6-7,12-16H2,1H3