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

Systemtic Name: ethyl 5-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(3-chlorobenzothiophene-2-carbonyl)amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[(3-chlorobenzothiophene-2-carbonyl)amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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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=CC=CC=C4S3)Cl

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H16ClN3O3S/c1-2-28-21(27)15-12-23-25(13-8-4-3-5-9-13)19(15)24-20(26)18-17(22)14-10-6-7-11-16(14)29-18/h3-12H,2H2,1H3,(H,24,26)