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

Systemtic Name: ethyl 2-[5-(2-chloranylethanoylamino)-3-(4-methoxyphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H17ClN4O4S MolecularWeight: 420.86998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O4S/c1-3-27-17(25)14-10-28-18(20-14)23-15(21-16(24)9-19)8-13(22-23)11-4-6-12(26-2)7-5-11/h4-8,10H,3,9H2,1-2H3,(H,21,24)