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

Systemtic Name: ethyl 2-[[(4-cyanophenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[(4-cyanophenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-cyanoanilino)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(4-cyanophenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-cyanophenyl)carbamoyl-isopropyl-amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C(C)C)C(=O)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H20N4O3S/c1-4-25-17(23)15-11-26-16(21-15)10-22(12(2)3)18(24)20-14-7-5-13(9-19)6-8-14/h5-8,11-12H,4,10H2,1-3H3,(H,20,24)