2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxidanylidene-ethyl]-4-nitro-isoindole-1,3-dione Openeye Name: 2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxo-ethyl]-4-nitro-isoindoline-1,3-dione CAS Name: 2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-4-nitroisoindole-1,3-dione IUPAC Name: 2-[2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-4-nitroisoindole-1,3-dione Traditional Name: 2-[2-keto-2-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]-4-nitro-isoindoline-1,3-quinone Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5S/c1-12-9-10-21(14-6-2-3-8-16(14)29-12)17(24)11-22-19(25)13-5-4-7-15(23(27)28)18(13)20(22)26/h2-8,12H,9-11H2,1H3