(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C22H19NO5S MolecularWeight: 409.45496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C22H19NO5S/c1-2-13-3-5-16-15(11-21(25)28-18(16)9-13)12-27-22(26)14-4-6-19-17(10-14)23-20(24)7-8-29-19/h3-6,9-11H,2,7-8,12H2,1H3,(H,23,24)