4-cyanobenzamide; methyl 1,3-thiazole-2-carboxylate

Systemtic Name: 4-cyanobenzamide; methyl 1,3-thiazole-2-carboxylate Openeye Name: 4-cyanobenzamide; methyl thiazole-2-carboxylate CAS Name: 4-cyanobenzamide; 2-thiazolecarboxylic acid methyl ester IUPAC Name: 4-cyanobenzamide; methyl 1,3-thiazole-2-carboxylate Traditional Name: 4-cyanobenzamide; thiazole-2-carboxylic acid methyl ester Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=CS1.C1=CC(=CC=C1C#N)C(=O)N

Isomeric SMILES

COC(=O)C1=NC=CS1.C1=CC(=CC=C1C#N)C(=O)N

InChI

InChI=1S/C8H6N2O.C5H5NO2S/c9-5-6-1-3-7(4-2-6)8(10)11;1-8-5(7)4-6-2-3-9-4/h1-4H,(H2,10,11);2-3H,1H3