ethyl 5-[(3-chloranyl-6-methyl-1-benzothiophen-2-yl)carbonylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[(3-chloranyl-6-methyl-1-benzothiophen-2-yl)carbonylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(3-chloro-6-methyl-benzothiophene-2-carbonyl)amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[(3-chloro-6-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[(3-chloro-6-methyl-benzothiophene-2-carbonyl)amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)C)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)C)Cl

InChI

InChI=1S/C22H18ClN3O3S/c1-3-29-22(28)16-12-24-26(14-7-5-4-6-8-14)20(16)25-21(27)19-18(23)15-10-9-13(2)11-17(15)30-19/h4-12H,3H2,1-2H3,(H,25,27)