1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(4-methyl-2-nitro-phenoxy)ethanone

Systemtic Name: 1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(4-methyl-2-nitro-phenoxy)ethanone Openeye Name: 1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(4-methyl-2-nitro-phenoxy)ethanone CAS Name: 1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(4-methyl-2-nitrophenoxy)ethanone IUPAC Name: 1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(4-methyl-2-nitrophenoxy)ethanone Traditional Name: 1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(4-methyl-2-nitro-phenoxy)ethanone Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)COC3=C(C=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-13-7-8-17(16(11-13)21(23)24)25-12-19(22)20-10-9-14(2)26-18-6-4-3-5-15(18)20/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m1/s1