ethyl 5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(cyanomethyl)thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(cyanomethyl)-4-thiazolyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(cyanomethyl)-1,3-thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(cyanomethyl)thiazol-4-yl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C2=CSC(=N2)CC#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C2=CSC(=N2)CC#N)C

InChI

InChI=1S/C14H15N3O2S/c1-4-19-14(18)12-8(2)13(16-9(12)3)10-7-20-11(17-10)5-6-15/h7,16H,4-5H2,1-3H3