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

Systemtic Name: butan-2-yl 2-[[1-(phenoxymethyl)pyrazol-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: sec-butyl 2-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-[1-(phenoxymethyl)-3-pyrazolyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-(phenoxymethyl)pyrazole-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid sec-butyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4

Isomeric SMILES

CCC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C=C3)COC4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4S/c1-3-16(2)31-24(29)21-18-11-7-8-12-20(18)32-23(21)25-22(28)19-13-14-27(26-19)15-30-17-9-5-4-6-10-17/h4-6,9-10,13-14,16H,3,7-8,11-12,15H2,1-2H3,(H,25,28)