furan-2-ylmethyl 6-oxidanylidene-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: furan-2-ylmethyl 6-oxidanylidene-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: 2-furylmethyl 6-oxo-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 6-oxo-5-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-benzo[b][1,4]benzothiazepinecarboxylic acid 2-furanylmethyl ester IUPAC Name: furan-2-ylmethyl 6-oxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-keto-5-(2-keto-2-pyrrolidino-ethyl)benzo[b][1,4]benzothiazepine-3-carboxylic acid 2-furfuryl ester Formula: C25H22N2O5S MolecularWeight: 462.51758

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2C3=C(C=CC(=C3)C(=O)OCC4=CC=CO4)SC5=CC=CC=C5C2=O

Isomeric SMILES

C1CCN(C1)C(=O)CN2C3=C(C=CC(=C3)C(=O)OCC4=CC=CO4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C25H22N2O5S/c28-23(26-11-3-4-12-26)15-27-20-14-17(25(30)32-16-18-6-5-13-31-18)9-10-22(20)33-21-8-2-1-7-19(21)24(27)29/h1-2,5-10,13-14H,3-4,11-12,15-16H2