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

Systemtic Name: methyl 2-[5-(2-chloranylethanoylamino)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[5-[(2-chloroacetyl)amino]-3-(4-methoxyphenyl)pyrazol-1-yl]thiazole-4-carboxylate CAS Name: 2-[5-[(2-chloro-1-oxoethyl)amino]-3-(4-methoxyphenyl)-1-pyrazolyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[5-[(2-chloroacetyl)amino]-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[5-[(2-chloroacetyl)amino]-3-(4-methoxyphenyl)pyrazol-1-yl]thiazole-4-carboxylic acid methyl ester Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CCl)C3=NC(=CS3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CCl)C3=NC(=CS3)C(=O)OC

InChI

InChI=1S/C17H15ClN4O4S/c1-25-11-5-3-10(4-6-11)12-7-14(20-15(23)8-18)22(21-12)17-19-13(9-27-17)16(24)26-2/h3-7,9H,8H2,1-2H3,(H,20,23)