4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-(6-methoxy-1,3-benzothiazol-2-yl)butyramide Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCC(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20N2O5S/c1-26-14-4-5-15-19(12-14)29-21(22-15)23-20(25)8-6-16(24)13-3-7-17-18(11-13)28-10-2-9-27-17/h3-5,7,11-12H,2,6,8-10H2,1H3,(H,22,23,25)