4-oxidanylidene-N-[4-(oxolan-2-ylcarbonylamino)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[4-(oxolan-2-ylcarbonylamino)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[4-(tetrahydrofuran-2-carbonylamino)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[4-[[oxo(2-oxolanyl)methyl]amino]phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[4-(oxolane-2-carbonylamino)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[4-(tetrahydrofuran-2-carbonylamino)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CC(OC1)C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H21N3O4S/c25-19-9-11-29-18-8-3-13(12-16(18)24-19)20(26)22-14-4-6-15(7-5-14)23-21(27)17-2-1-10-28-17/h3-8,12,17H,1-2,9-11H2,(H,22,26)(H,23,27)(H,24,25)