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

Systemtic Name: butan-2-yl 2-[[5-(furan-2-yl)-1H-pyrazol-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: sec-butyl 2-[[5-(2-furyl)-1H-pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[5-(2-furanyl)-1H-pyrazol-3-yl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-(2-furyl)-1H-pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid sec-butyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NNC(=C3)C4=CC=CO4

Isomeric SMILES

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NNC(=C3)C4=CC=CO4

InChI

InChI=1S/C21H23N3O4S/c1-3-12(2)28-21(26)18-13-7-4-5-9-17(13)29-20(18)22-19(25)15-11-14(23-24-15)16-8-6-10-27-16/h6,8,10-12H,3-5,7,9H2,1-2H3,(H,22,25)(H,23,24)