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

Systemtic Name: butan-2-yl 2-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: sec-butyl 2-[[5-(2-thienyl)-1H-pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-(5-thiophen-2-yl-1H-pyrazol-3-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[5-(2-thienyl)-1H-pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid sec-butyl ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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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=CS4

Isomeric SMILES

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NNC(=C3)C4=CC=CS4

InChI

InChI=1S/C21H23N3O3S2/c1-3-12(2)27-21(26)18-13-7-4-5-8-16(13)29-20(18)22-19(25)15-11-14(23-24-15)17-9-6-10-28-17/h6,9-12H,3-5,7-8H2,1-2H3,(H,22,25)(H,23,24)