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

Systemtic Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(3-methyl-4-nitro-phenyl)methanone Openeye Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(3-methyl-4-nitrophenyl)methanone IUPAC Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(3-methyl-4-nitrophenyl)methanone Traditional Name: [(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-(3-methyl-4-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=CC(=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-12-11-14(7-8-15(12)20(22)23)18(21)19-10-9-13(2)24-17-6-4-3-5-16(17)19/h3-8,11,13H,9-10H2,1-2H3/t13-/m0/s1