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

Systemtic Name: 1-(2-acetamidoethyl)-5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide Openeye Name: 1-(2-acetamidoethyl)-5-[2-(cyanomethyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide CAS Name: 1-(2-acetamidoethyl)-5-[2-(cyanomethyl)-4-thiazolyl]-2-methyl-3-pyrrolecarboxamide IUPAC Name: 1-(2-acetamidoethyl)-5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-2-methylpyrrole-3-carboxamide Traditional Name: 1-(2-acetamidoethyl)-5-[2-(cyanomethyl)thiazol-4-yl]-2-methyl-pyrrole-3-carboxamide Formula: C15H17N5O2S MolecularWeight: 331.39278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O2S/c1-9-11(15(17)22)7-13(20(9)6-5-18-10(2)21)12-8-23-14(19-12)3-4-16/h7-8H,3,5-6H2,1-2H3,(H2,17,22)(H,18,21)