furan-2-ylmethyl 5-[(4-methoxyphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: furan-2-ylmethyl 5-[(4-methoxyphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: 2-furylmethyl 5-[(4-methoxyphenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(4-methoxyphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid 2-furanylmethyl ester IUPAC Name: furan-2-ylmethyl 5-[(4-methoxyphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-keto-5-p-anisyl-benzo[b][1,4]benzothiazepine-3-carboxylic acid 2-furfuryl ester Formula: C27H21NO5S MolecularWeight: 471.52434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)OCC4=CC=CO4)SC5=CC=CC=C5C2=O

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)OCC4=CC=CO4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C27H21NO5S/c1-31-20-11-8-18(9-12-20)16-28-23-15-19(27(30)33-17-21-5-4-14-32-21)10-13-25(23)34-24-7-3-2-6-22(24)26(28)29/h2-15H,16-17H2,1H3