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

Systemtic Name: methyl 2-[5-(2-chloranylethanoylamino)-3-phenyl-pyrazol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H13ClN4O3S MolecularWeight: 376.81742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O3S/c1-24-15(23)12-9-25-16(18-12)21-13(19-14(22)8-17)7-11(20-21)10-5-3-2-4-6-10/h2-7,9H,8H2,1H3,(H,19,22)