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

Systemtic Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(4-nitrophenyl)methanone Openeye Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(4-nitrophenyl)methanone CAS Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(4-nitrophenyl)methanone IUPAC Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(4-nitrophenyl)methanone Traditional Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(4-nitrophenyl)methanone Formula: C17H16N2O3S MolecularWeight: 328.38554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3S/c1-12-10-11-18(15-4-2-3-5-16(15)23-12)17(20)13-6-8-14(9-7-13)19(21)22/h2-9,12H,10-11H2,1H3/t12-/m0/s1