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

Systemtic Name: methyl 3-chloranyl-6-[[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]carbonylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[oxo-[1-(1-pyrazolylmethyl)-3-pyrazolyl]methyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H14ClN5O3S MolecularWeight: 415.85346

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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)CN4C=CC=N4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=O)C3=NN(C=C3)CN4C=CC=N4)Cl

InChI

InChI=1S/C18H14ClN5O3S/c1-27-18(26)16-15(19)12-4-3-11(9-14(12)28-16)21-17(25)13-5-8-24(22-13)10-23-7-2-6-20-23/h2-9H,10H2,1H3,(H,21,25)