1-(2-acetamidoethyl)-5-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide

Systemtic Name: 1-(2-acetamidoethyl)-5-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide Openeye Name: 1-(2-acetamidoethyl)-5-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide CAS Name: 1-(2-acetamidoethyl)-5-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-thiazolyl]-2-methyl-3-pyrrolecarboxamide IUPAC Name: 1-(2-acetamidoethyl)-5-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide Traditional Name: 1-(2-acetamidoethyl)-5-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCNC(=O)C)C2=CSC(=N2)C3COC4=CC=CC=C4O3)C(=O)N

Isomeric SMILES

CC1=C(C=C(N1CCNC(=O)C)C2=CSC(=N2)C3COC4=CC=CC=C4O3)C(=O)N

InChI

InChI=1S/C21H22N4O4S/c1-12-14(20(22)27)9-16(25(12)8-7-23-13(2)26)15-11-30-21(24-15)19-10-28-17-5-3-4-6-18(17)29-19/h3-6,9,11,19H,7-8,10H2,1-2H3,(H2,22,27)(H,23,26)