methyl 2-[[(4-cyanophenyl)carbamoyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(4-cyanophenyl)carbamoyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-cyanophenyl)carbamoyl-cyclopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-cyanoanilino)-oxomethyl]-cyclopropylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-cyanophenyl)carbamoyl-cyclopropylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-cyanophenyl)carbamoyl-cyclopropyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1=CSC(=N1)CN(C2CC2)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H16N4O3S/c1-24-16(22)14-10-25-15(20-14)9-21(13-6-7-13)17(23)19-12-4-2-11(8-18)3-5-12/h2-5,10,13H,6-7,9H2,1H3,(H,19,23)