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

Systemtic Name: N-[[4-(furan-2-ylcarbonylamino)phenyl]methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[[4-[[2-furanyl(oxo)methyl]amino]phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[[4-(furan-2-carbonylamino)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[4-(2-furoylamino)benzyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)NC(=O)C4=CC=CO4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)NC(=O)C4=CC=CO4)NC1=O

InChI

InChI=1S/C22H19N3O4S/c26-20-9-11-30-19-8-5-15(12-17(19)25-20)21(27)23-13-14-3-6-16(7-4-14)24-22(28)18-2-1-10-29-18/h1-8,10,12H,9,11,13H2,(H,23,27)(H,24,28)(H,25,26)