N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(3-keto-1,4-benzothiazin-4-yl)propionamide Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CCN3C(=O)CSC4=CC=CC=C43)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CCN3C(=O)CSC4=CC=CC=C43)OC1

InChI

InChI=1S/C20H20N2O4S/c23-19(21-14-6-7-16-17(12-14)26-11-3-10-25-16)8-9-22-15-4-1-2-5-18(15)27-13-20(22)24/h1-2,4-7,12H,3,8-11,13H2,(H,21,23)