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

Systemtic Name: propyl 2-[[5-(pyrazol-1-ylmethyl)furan-2-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-2-12-27-21(26)18-15-6-3-4-7-17(15)29-20(18)23-19(25)16-9-8-14(28-16)13-24-11-5-10-22-24/h5,8-11H,2-4,6-7,12-13H2,1H3,(H,23,25)