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

Systemtic Name: furan-2-ylmethyl 5-[(3-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: 2-furylmethyl 5-(m-tolylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(3-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid 2-furanylmethyl ester IUPAC Name: furan-2-ylmethyl 5-[(3-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-keto-5-(3-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxylic acid 2-furfuryl ester Formula: C27H21NO4S MolecularWeight: 455.52494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)OCC4=CC=CO4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(C=CC(=C3)C(=O)OCC4=CC=CO4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C27H21NO4S/c1-18-6-4-7-19(14-18)16-28-23-15-20(27(30)32-17-21-8-5-13-31-21)11-12-25(23)33-24-10-3-2-9-22(24)26(28)29/h2-15H,16-17H2,1H3