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

Systemtic Name: methyl 3-chloranyl-6-[[1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[oxo-[1-[(4-phenylphenoxy)methyl]-3-pyrazolyl]methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C27H20ClN3O4S MolecularWeight: 517.9834

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=NN(C=C3)COC4=CC=C(C=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C27H20ClN3O4S/c1-34-27(33)25-24(28)21-12-9-19(15-23(21)36-25)29-26(32)22-13-14-31(30-22)16-35-20-10-7-18(8-11-20)17-5-3-2-4-6-17/h2-15H,16H2,1H3,(H,29,32)