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

Systemtic Name: furan-2-ylmethyl 5-[(4-cyanophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: 2-furylmethyl 5-[(4-cyanophenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(4-cyanophenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid 2-furanylmethyl ester IUPAC Name: furan-2-ylmethyl 5-[(4-cyanophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-(4-cyanobenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylic acid 2-furfuryl ester Formula: C27H18N2O4S MolecularWeight: 466.50782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C3=C(S2)C=CC(=C3)C(=O)OCC4=CC=CO4)CC5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C3=C(S2)C=CC(=C3)C(=O)OCC4=CC=CO4)CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H18N2O4S/c28-15-18-7-9-19(10-8-18)16-29-23-14-20(27(31)33-17-21-4-3-13-32-21)11-12-25(23)34-24-6-2-1-5-22(24)26(29)30/h1-14H,16-17H2