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

Systemtic Name: N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[[3-(2-furylmethoxymethyl)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[[3-(2-furanylmethoxymethyl)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[3-(2-furfuryloxymethyl)benzyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)COCC4=CC=CO4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)COCC4=CC=CO4)NC1=O

InChI

InChI=1S/C23H22N2O4S/c26-22-8-10-30-21-7-6-18(12-20(21)25-22)23(27)24-13-16-3-1-4-17(11-16)14-28-15-19-5-2-9-29-19/h1-7,9,11-12H,8,10,13-15H2,(H,24,27)(H,25,26)