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

Systemtic Name: methyl 3-chloranyl-6-[(1,3-diphenylpyrazol-4-yl)carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(1,3-diphenyl-4-pyrazolyl)-oxomethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(1,3-diphenylpyrazole-4-carbonyl)amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C26H18ClN3O3S MolecularWeight: 487.95742

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C26H18ClN3O3S/c1-33-26(32)24-22(27)19-13-12-17(14-21(19)34-24)28-25(31)20-15-30(18-10-6-3-7-11-18)29-23(20)16-8-4-2-5-9-16/h2-15H,1H3,(H,28,31)