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

Systemtic Name: methyl 3-chloranyl-6-[(5-methyl-1,3-diphenyl-pyrazol-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(5-methyl-1,3-diphenyl-pyrazole-4-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(5-methyl-1,3-diphenyl-4-pyrazolyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(5-methyl-1,3-diphenylpyrazole-4-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(5-methyl-1,3-diphenyl-pyrazole-4-carbonyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C27H20ClN3O3S MolecularWeight: 501.984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)C(=C(S5)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC5=C(C=C4)C(=C(S5)C(=O)OC)Cl

InChI

InChI=1S/C27H20ClN3O3S/c1-16-22(24(17-9-5-3-6-10-17)30-31(16)19-11-7-4-8-12-19)26(32)29-18-13-14-20-21(15-18)35-25(23(20)28)27(33)34-2/h3-15H,1-2H3,(H,29,32)