methyl 3-chloranyl-6-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]carbonylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[3-(p-tolyl)-1H-pyrazole-5-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[3-(4-methylphenyl)-1H-pyrazol-5-yl]-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[3-(p-tolyl)-1H-pyrazole-5-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl

InChI

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