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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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