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

Systemtic Name: 5-prop-2-enyl-3-pyrrolidin-1-ylcarbonyl-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-allyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one CAS Name: 3-[oxo(1-pyrrolidinyl)methyl]-5-prop-2-enyl-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-prop-2-enyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-allyl-3-(pyrrolidine-1-carbonyl)benzo[b][1,4]benzothiazepin-6-one Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=CC(=C2)C(=O)N3CCCC3)SC4=CC=CC=C4C1=O

Isomeric SMILES

C=CCN1C2=C(C=CC(=C2)C(=O)N3CCCC3)SC4=CC=CC=C4C1=O

InChI

InChI=1S/C21H20N2O2S/c1-2-11-23-17-14-15(20(24)22-12-5-6-13-22)9-10-19(17)26-18-8-4-3-7-16(18)21(23)25/h2-4,7-10,14H,1,5-6,11-13H2