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

Systemtic Name: 4-oxidanylidene-N-[3-(oxolan-2-ylmethoxy)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[3-(tetrahydrofuran-2-ylmethoxy)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[3-(2-oxolanylmethoxy)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[3-(oxolan-2-ylmethoxy)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[3-(tetrahydrofurfuryloxy)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CC(OC1)COC2=CC=CC(=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H22N2O4S/c24-20-8-10-28-19-7-6-14(11-18(19)23-20)21(25)22-15-3-1-4-16(12-15)27-13-17-5-2-9-26-17/h1,3-4,6-7,11-12,17H,2,5,8-10,13H2,(H,22,25)(H,23,24)