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

Systemtic Name: ethyl 5-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: ethyl 5-[2-(2-furylmethylamino)-2-oxo-ethyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[2-(2-furanylmethylamino)-2-oxoethyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-[2-(2-furfurylamino)-2-keto-ethyl]-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylic acid ethyl ester Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC(=O)NCC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC(=O)NCC4=CC=CO4

InChI

InChI=1S/C23H20N2O5S/c1-2-29-23(28)15-9-10-20-18(12-15)25(14-21(26)24-13-16-6-5-11-30-16)22(27)17-7-3-4-8-19(17)31-20/h3-12H,2,13-14H2,1H3,(H,24,26)