(3S)-3-methyl-3-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]carbonyl]-4H-isochromen-1-one

Systemtic Name: (3S)-3-methyl-3-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]carbonyl]-4H-isochromen-1-one Openeye Name: (3S)-3-methyl-3-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]isochroman-1-one CAS Name: (3S)-3-methyl-3-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-oxomethyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: (3S)-3-methyl-3-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]-4H-isochromen-1-one Traditional Name: (3S)-3-methyl-3-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]isochroman-1-one Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3(CC4=CC=CC=C4C(=O)O3)C

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)[C@@]3(CC4=CC=CC=C4C(=O)O3)C

InChI

InChI=1S/C21H21NO3S/c1-14-11-12-22(17-9-5-6-10-18(17)26-14)20(24)21(2)13-15-7-3-4-8-16(15)19(23)25-21/h3-10,14H,11-13H2,1-2H3/t14-,21-/m0/s1