[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(4-methyl-3-nitro-phenyl)methanone

Systemtic Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(4-methyl-3-nitro-phenyl)methanone Openeye Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(4-methyl-3-nitrophenyl)methanone IUPAC Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(4-methyl-3-nitro-phenyl)methanone Formula: C18H18N2O3S MolecularWeight: 342.41212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-12-7-8-14(11-16(12)20(22)23)18(21)19-10-9-13(2)24-17-6-4-3-5-15(17)19/h3-8,11,13H,9-10H2,1-2H3/t13-/m0/s1