1-[5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylcarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[3,4-dihydro-2H-1,5-benzothiazepin-5-yl(oxo)methyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[5-(3,4-dihydro-2H-1,5-benzothiazepine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCCSC3=CC=CC=C32

InChI

InChI=1S/C18H20N2O2S/c1-11-16(13(3)21)12(2)19-17(11)18(22)20-9-6-10-23-15-8-5-4-7-14(15)20/h4-5,7-8,19H,6,9-10H2,1-3H3