N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H18N2O4S/c1-19-7-2-4-13(19)17(21)18-16(20)11-24-12-5-6-14-15(10-12)23-9-3-8-22-14/h2,4-7,10H,3,8-9,11H2,1H3,(H,18,20,21)