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

Systemtic Name: (2-chloranyl-4-nitro-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Openeye Name: (2-chloro-4-nitro-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone CAS Name: (2-chloro-4-nitrophenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone IUPAC Name: (2-chloro-4-nitrophenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Traditional Name: (2-chloro-4-nitro-phenyl)-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]methanone Formula: C17H15ClN2O3S MolecularWeight: 362.8306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O3S/c1-11-8-9-19(15-4-2-3-5-16(15)24-11)17(21)13-7-6-12(20(22)23)10-14(13)18/h2-7,10-11H,8-9H2,1H3/t11-/m0/s1