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

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(2-morpholin-4-yl-5-nitro-phenyl)methanone Openeye Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(2-morpholino-5-nitro-phenyl)methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[2-(4-morpholinyl)-5-nitrophenyl]methanone IUPAC Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(2-morpholin-4-yl-5-nitrophenyl)methanone Traditional Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(2-morpholino-5-nitro-phenyl)methanone Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C21H23N3O4S/c1-15-8-9-23(19-4-2-3-5-20(19)29-15)21(25)17-14-16(24(26)27)6-7-18(17)22-10-12-28-13-11-22/h2-7,14-15H,8-13H2,1H3