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

Systemtic Name: furan-2-ylmethyl 5-[(4-ethenylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: 2-furylmethyl 6-oxo-5-[(4-vinylphenyl)methyl]benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 5-[(4-ethenylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxylic acid 2-furanylmethyl ester IUPAC Name: furan-2-ylmethyl 5-[(4-ethenylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-keto-5-(4-vinylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxylic acid 2-furfuryl ester Formula: C28H21NO4S MolecularWeight: 467.53564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H21NO4S/c1-2-19-9-11-20(12-10-19)17-29-24-16-21(28(31)33-18-22-6-5-15-32-22)13-14-26(24)34-25-8-4-3-7-23(25)27(29)30/h2-16H,1,17-18H2