2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-furylmethylcarbamoyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[(2-furanylmethylamino)-oxomethyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(furan-2-ylmethylcarbamoyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-furfurylcarbamoyl)acetamide Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)NC(=O)NCC3=CC=CO3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)NC(=O)NCC3=CC=CO3)OC1

InChI

InChI=1S/C17H18N2O5S/c20-16(19-17(21)18-10-12-3-1-6-22-12)11-25-13-4-5-14-15(9-13)24-8-2-7-23-14/h1,3-6,9H,2,7-8,10-11H2,(H2,18,19,20,21)