6-[3-methoxy-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepin-5-yl]-N-oxidanyl-hexanamide

Systemtic Name: 6-[3-methoxy-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepin-5-yl]-N-oxidanyl-hexanamide Openeye Name: 6-(3-methoxy-6,11-dioxo-benzo[b][1,4]benzothiazepin-5-yl)hexanehydroxamic acid CAS Name: N-hydroxy-6-(3-methoxy-6,11-dioxo-5-benzo[b][1,4]benzothiazepinyl)hexanamide IUPAC Name: N-hydroxy-6-(3-methoxy-6,11-dioxobenzo[b][1,4]benzothiazepin-5-yl)hexanamide Traditional Name: 6-(6,11-diketo-3-methoxy-benzo[b][1,4]benzothiazepin-5-yl)hexanehydroxamic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)S(=O)C3=CC=CC=C3C(=O)N2CCCCCC(=O)NO

Isomeric SMILES

COC1=CC2=C(C=C1)S(=O)C3=CC=CC=C3C(=O)N2CCCCCC(=O)NO

InChI

InChI=1S/C20H22N2O5S/c1-27-14-10-11-18-16(13-14)22(12-6-2-3-9-19(23)21-25)20(24)15-7-4-5-8-17(15)28(18)26/h4-5,7-8,10-11,13,25H,2-3,6,9,12H2,1H3,(H,21,23)