ethyl 2-[5-(2-chloranylethanoylamino)-3-phenyl-pyrazol-1-yl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[5-(2-chloranylethanoylamino)-3-phenyl-pyrazol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[5-[(2-chloroacetyl)amino]-3-phenyl-pyrazol-1-yl]thiazole-4-carboxylate CAS Name: 2-[5-[(2-chloro-1-oxoethyl)amino]-3-phenyl-1-pyrazolyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[5-[(2-chloroacetyl)amino]-3-phenylpyrazol-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[5-[(2-chloroacetyl)amino]-3-phenyl-pyrazol-1-yl]thiazole-4-carboxylic acid ethyl ester Formula: C17H15ClN4O3S MolecularWeight: 390.844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)NC(=O)CCl

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)NC(=O)CCl

InChI

InChI=1S/C17H15ClN4O3S/c1-2-25-16(24)13-10-26-17(19-13)22-14(20-15(23)9-18)8-12(21-22)11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3,(H,20,23)