3-morpholin-4-ylcarbonyl-5-prop-2-enyl-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 3-morpholin-4-ylcarbonyl-5-prop-2-enyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-allyl-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[4-morpholinyl(oxo)methyl]-5-prop-2-enyl-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 3-(morpholine-4-carbonyl)-5-prop-2-enylbenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-allyl-3-(morpholine-4-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC(=C2)C(=O)N3CCOCC3)SC4=CC=CC=C4C1=O

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)C(=O)N3CCOCC3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C21H20N2O3S/c1-2-9-23-17-14-15(20(24)22-10-12-26-13-11-22)7-8-19(17)27-18-6-4-3-5-16(18)21(23)25/h2-8,14H,1,9-13H2