ethyl 5-[(3-methoxycarbonyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-5-yl)methyl]-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 5-[(3-methoxycarbonyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-5-yl)methyl]-1,2-oxazole-3-carboxylate Openeye Name: ethyl 5-[(3-methoxycarbonyl-6-oxo-benzo[b][1,4]benzothiazepin-5-yl)methyl]isoxazole-3-carboxylate CAS Name: 5-[(3-methoxycarbonyl-6-oxo-5-benzo[b][1,4]benzothiazepinyl)methyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-methoxycarbonyl-6-oxobenzo[b][1,4]benzothiazepin-5-yl)methyl]-1,2-oxazole-3-carboxylate Traditional Name: 5-[(3-carbomethoxy-6-keto-benzo[b][1,4]benzothiazepin-5-yl)methyl]isoxazole-3-carboxylic acid ethyl ester Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NOC(=C1)CN2C3=C(C=CC(=C3)C(=O)OC)SC4=CC=CC=C4C2=O

Isomeric SMILES

CCOC(=O)C1=NOC(=C1)CN2C3=C(C=CC(=C3)C(=O)OC)SC4=CC=CC=C4C2=O

InChI

InChI=1S/C22H18N2O6S/c1-3-29-22(27)16-11-14(30-23-16)12-24-17-10-13(21(26)28-2)8-9-19(17)31-18-7-5-4-6-15(18)20(24)25/h4-11H,3,12H2,1-2H3