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

Systemtic Name: ethyl 2-[[1-(phenoxymethyl)pyrazol-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-2-28-22(27)19-16-10-6-7-11-18(16)30-21(19)23-20(26)17-12-13-25(24-17)14-29-15-8-4-3-5-9-15/h3-5,8-9,12-13H,2,6-7,10-11,14H2,1H3,(H,23,26)