5-ethyl-3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one

Systemtic Name: 5-ethyl-3-[4-(furan-2-ylcarbonyl)piperazin-1-yl]carbonyl-11-oxidanylidene-benzo[b][1,4]benzothiazepin-6-one Openeye Name: 5-ethyl-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-11-oxo-benzo[b][1,4]benzothiazepin-6-one CAS Name: 5-ethyl-3-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-oxomethyl]-11-oxo-6-benzo[b][1,4]benzothiazepinone IUPAC Name: 5-ethyl-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-11-oxobenzo[b][1,4]benzothiazepin-6-one Traditional Name: 5-ethyl-3-[4-(2-furoyl)piperazine-1-carbonyl]-11-keto-benzo[b][1,4]benzothiazepin-6-one Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4)S(=O)C5=CC=CC=C5C1=O

Isomeric SMILES

CCN1C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C(=O)C4=CC=CO4)S(=O)C5=CC=CC=C5C1=O

InChI

InChI=1S/C25H23N3O5S/c1-2-28-19-16-17(9-10-22(19)34(32)21-8-4-3-6-18(21)24(28)30)23(29)26-11-13-27(14-12-26)25(31)20-7-5-15-33-20/h3-10,15-16H,2,11-14H2,1H3