N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[[5-(4-chlorophenyl)-2-furyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[[5-(4-chlorophenyl)-2-furanyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[[5-(4-chlorophenyl)-2-furyl]methyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CC=C(O3)C4=CC=C(C=C4)Cl)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CC=C(O3)C4=CC=C(C=C4)Cl)NC1=O

InChI

InChI=1S/C21H17ClN2O3S/c22-15-4-1-13(2-5-15)18-7-6-16(27-18)12-23-21(26)14-3-8-19-17(11-14)24-20(25)9-10-28-19/h1-8,11H,9-10,12H2,(H,23,26)(H,24,25)