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

Systemtic Name: ethyl 6-oxidanylidene-5-(phenylmethyl)benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: ethyl 5-benzyl-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 6-oxo-5-(phenylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 5-benzyl-6-keto-benzo[b][1,4]benzothiazepine-3-carboxylic acid ethyl ester Formula: C23H19NO3S MolecularWeight: 389.46686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19NO3S/c1-2-27-23(26)17-12-13-21-19(14-17)24(15-16-8-4-3-5-9-16)22(25)18-10-6-7-11-20(18)28-21/h3-14H,2,15H2,1H3