5-[(4-ethoxyphenyl)methyl]-3-morpholin-4-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-[(4-ethoxyphenyl)methyl]-3-morpholin-4-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-[(4-ethoxyphenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-[(4-ethoxyphenyl)methyl]-3-[4-morpholinyl(oxo)methyl]-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-[(4-ethoxyphenyl)methyl]-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-(4-ethoxybenzyl)-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C27H26N2O4S MolecularWeight: 474.57134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)N4CCOCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2C3=C(C=CC(=C3)C(=O)N4CCOCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C27H26N2O4S/c1-2-33-21-10-7-19(8-11-21)18-29-23-17-20(26(30)28-13-15-32-16-14-28)9-12-25(23)34-24-6-4-3-5-22(24)27(29)31/h3-12,17H,2,13-16,18H2,1H3