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

Systemtic Name: propyl 2-[[1-(pyrazol-1-ylmethyl)pyrazol-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3S/c1-2-12-28-20(27)17-14-6-3-4-7-16(14)29-19(17)22-18(26)15-8-11-25(23-15)13-24-10-5-9-21-24/h5,8-11H,2-4,6-7,12-13H2,1H3,(H,22,26)