N-[3-[[ethanoyl(ethyl)amino]methyl]phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[3-[[ethanoyl(ethyl)amino]methyl]phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C(=O)C

Isomeric SMILES

CCN(CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C(=O)C

InChI

InChI=1S/C21H23N3O3S/c1-3-24(14(2)25)13-15-5-4-6-17(11-15)22-21(27)16-7-8-19-18(12-16)23-20(26)9-10-28-19/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,22,27)(H,23,26)