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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)N2CCCSC3=CC=CC=C32

InChI

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