2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 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 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 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-phthalimidoethyl ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCCN3C(=O)C4=CC=CC=C4C3=O)NC1=O

InChI

InChI=1S/C20H16N2O5S/c23-17-7-10-28-16-6-5-12(11-15(16)21-17)20(26)27-9-8-22-18(24)13-3-1-2-4-14(13)19(22)25/h1-6,11H,7-10H2,(H,21,23)