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

Systemtic Name: ethyl 2-[[(3-cyanophenyl)carbamoyl-cyclopropyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(3-cyanophenyl)carbamoyl-cyclopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(3-cyanoanilino)-oxomethyl]-cyclopropylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(3-cyanophenyl)carbamoyl-cyclopropylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(3-cyanophenyl)carbamoyl-cyclopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S/c1-2-25-17(23)15-11-26-16(21-15)10-22(14-6-7-14)18(24)20-13-5-3-4-12(8-13)9-19/h3-5,8,11,14H,2,6-7,10H2,1H3,(H,20,24)