4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-morpholin-4-yl-2-thiophen-2-yl-ethyl)-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-morpholino-2-(2-thienyl)ethyl]-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[2-(4-morpholinyl)-2-thiophen-2-ylethyl]-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-N-[2-morpholino-2-(2-thienyl)ethyl]butyramide Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NCC(C3=CC=CS3)N4CCOCC4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(=O)CCC(=O)NCC(C3=CC=CS3)N4CCOCC4)OC1

InChI

InChI=1S/C23H28N2O5S/c26-19(17-4-6-20-21(15-17)30-11-2-10-29-20)5-7-23(27)24-16-18(22-3-1-14-31-22)25-8-12-28-13-9-25/h1,3-4,6,14-15,18H,2,5,7-13,16H2,(H,24,27)