ethyl 2-[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-chloranyl-2-methyl-pyrazol-3-yl)carbonylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(4-chloro-2-methyl-pyrazole-3-carbonyl)amino]thiophene-3-carboxylate CAS Name: 2-[[(4-chloro-2-methyl-3-pyrazolyl)-oxomethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(4-chloro-2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-chloro-2-methyl-pyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C19H18ClN3O3S MolecularWeight: 403.88252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)C3=C(C=NN3C)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=O)C3=C(C=NN3C)Cl

InChI

InChI=1S/C19H18ClN3O3S/c1-3-26-19(25)14-10-13(9-12-7-5-4-6-8-12)27-18(14)22-17(24)16-15(20)11-21-23(16)2/h4-8,10-11H,3,9H2,1-2H3,(H,22,24)