diethyl 2-[(benzo[b][1,4]benzothiazepin-6-ylamino)methylidene]propanedioate

Systemtic Name: diethyl 2-[(benzo[b][1,4]benzothiazepin-6-ylamino)methylidene]propanedioate Openeye Name: diethyl 2-[(benzo[b][1,4]benzothiazepin-6-ylamino)methylene]propanedioate CAS Name: 2-[(6-benzo[b][1,4]benzothiazepinylamino)methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(benzo[b][1,4]benzothiazepin-6-ylamino)methylidene]propanedioate Traditional Name: 2-[(benzo[b][1,4]benzothiazepin-6-ylamino)methylene]malonic acid diethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC2=CC=CC=C2SC3=CC=CC=C31)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=NC2=CC=CC=C2SC3=CC=CC=C31)C(=O)OCC

InChI

InChI=1S/C21H20N2O4S/c1-3-26-20(24)15(21(25)27-4-2)13-22-19-14-9-5-7-11-17(14)28-18-12-8-6-10-16(18)23-19/h5-13H,3-4H2,1-2H3,(H,22,23)