ethyl 2-[[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[1-(1-pyrazolylmethyl)-3-pyrazolyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-(pyrazol-1-ylmethyl)pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C=C3)CN4C=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C=C3)CN4C=CC=N4

InChI

InChI=1S/C19H21N5O3S/c1-2-27-19(26)16-13-6-3-4-7-15(13)28-18(16)21-17(25)14-8-11-24(22-14)12-23-10-5-9-20-23/h5,8-11H,2-4,6-7,12H2,1H3,(H,21,25)