methyl 3-methoxy-4-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 3-methoxy-4-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 3-methoxy-4-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethoxy]benzoate CAS Name: 3-methoxy-4-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethoxy]-3-methoxy-benzoic acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC3=C(C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)COC3=C(C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C21H23NO5S/c1-14-10-11-22(16-6-4-5-7-19(16)28-14)20(23)13-27-17-9-8-15(21(24)26-3)12-18(17)25-2/h4-9,12,14H,10-11,13H2,1-3H3/t14-/m0/s1