ethyl 6,6-dimethyl-2-(pyrimidin-2-ylsulfonylcarbamoylamino)-5,7-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6,6-dimethyl-2-(pyrimidin-2-ylsulfonylcarbamoylamino)-5,7-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6,6-dimethyl-2-(pyrimidin-2-ylsulfonylcarbamoylamino)-5,7-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 6,6-dimethyl-2-[[oxo-(2-pyrimidinylsulfonylamino)methyl]amino]-5,7-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6,6-dimethyl-2-(pyrimidin-2-ylsulfonylcarbamoylamino)-5,7-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 6,6-dimethyl-2-(2-pyrimidylsulfonylcarbamoylamino)-5,7-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C18H22N4O5S2 MolecularWeight: 438.52108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)(C)C)NC(=O)NS(=O)(=O)C3=NC=CC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)(C)C)NC(=O)NS(=O)(=O)C3=NC=CC=N3

InChI

InChI=1S/C18H22N4O5S2/c1-4-27-15(23)13-11-6-7-18(2,3)10-12(11)28-14(13)21-16(24)22-29(25,26)17-19-8-5-9-20-17/h5,8-9H,4,6-7,10H2,1-3H3,(H2,21,22,24)