N-[2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylethanoyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanylacetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanylacetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)NC(=O)C2=CC=CN2C)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)NC(=O)C2=CC=CN2C)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N4O4S/c1-3-25-16(14-6-7-17-18(11-14)29-10-9-28-17)12-22-21(25)30-13-19(26)23-20(27)15-5-4-8-24(15)2/h4-8,11-12H,3,9-10,13H2,1-2H3,(H,23,26,27)