(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (7,8-dimethyl-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 (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-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 (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3)SCCC(=O)N4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC4=C(C=C3)SCCC(=O)N4)C

InChI

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