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

Systemtic Name: methyl 4-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]carbonyl]benzoate Openeye Name: methyl 4-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzoate CAS Name: 4-[[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzoate Traditional Name: 4-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl]benzoic acid methyl ester Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19NO3S/c1-13-11-12-20(16-5-3-4-6-17(16)24-13)18(21)14-7-9-15(10-8-14)19(22)23-2/h3-10,13H,11-12H2,1-2H3/t13-/m0/s1