1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-pyrrol-1-ylphenyl)ethanone

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-pyrrol-1-ylphenyl)ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-pyrrol-1-ylphenyl)ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-(1-pyrrolyl)phenyl]ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-pyrrol-1-ylphenyl)ethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-pyrrol-1-ylphenyl)ethanone Formula: C21H20N2OS MolecularWeight: 348.4613

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)CC3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)CC3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C21H20N2OS/c24-21(23-14-5-15-25-20-7-2-1-6-19(20)23)16-17-8-10-18(11-9-17)22-12-3-4-13-22/h1-4,6-13H,5,14-16H2