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

Systemtic Name: ethyl 2-[[5-(pyrazol-1-ylmethyl)furan-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[5-(1-pyrazolylmethyl)-2-furanyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-(pyrazol-1-ylmethyl)-2-furoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(O3)CN4C=CC=N4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(O3)CN4C=CC=N4

InChI

InChI=1S/C20H21N3O4S/c1-2-26-20(25)17-14-6-3-4-7-16(14)28-19(17)22-18(24)15-9-8-13(27-15)12-23-11-5-10-21-23/h5,8-11H,2-4,6-7,12H2,1H3,(H,22,24)