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

Systemtic Name: methyl 5-[(4-ethenylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H19NO3S MolecularWeight: 401.47756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)C=C

InChI

InChI=1S/C24H19NO3S/c1-3-16-8-10-17(11-9-16)15-25-20-14-18(24(27)28-2)12-13-22(20)29-21-7-5-4-6-19(21)23(25)26/h3-14H,1,15H2,2H3