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

Systemtic Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone Openeye Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-nitro-4-pyrrolidin-1-yl-phenyl)methanone CAS Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-[3-nitro-4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-nitro-4-pyrrolidin-1-ylphenyl)methanone Traditional Name: 3,4-dihydro-2H-1,5-benzothiazepin-5-yl-(3-nitro-4-pyrrolidino-phenyl)methanone Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCCSC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCCSC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O3S/c24-20(22-12-5-13-27-19-7-2-1-6-17(19)22)15-8-9-16(18(14-15)23(25)26)21-10-3-4-11-21/h1-2,6-9,14H,3-5,10-13H2