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

Systemtic Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(2-methyl-3-nitro-phenyl)methanone Openeye Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(2-methyl-3-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)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-12-10-11-19(16-7-3-4-9-17(16)24-12)18(21)14-6-5-8-15(13(14)2)20(22)23/h3-9,12H,10-11H2,1-2H3/t12-/m0/s1