5-chloranyl-N-[3-(2-methoxyethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfonyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[3-(2-methoxyethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfonyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[3-(2-methoxyethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-2-methylsulfonyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[3-[(2-methoxyethylamino)-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfonyl-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[3-(2-methoxyethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-methylsulfonylpyrimidine-4-carboxamide Traditional Name: 5-chloro-2-mesyl-N-[3-(2-methoxyethylcarbamoyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]pyrimidine-4-carboxamide Formula: C18H21ClN4O5S2 MolecularWeight: 472.96614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)C

Isomeric SMILES

COCCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)C

InChI

InChI=1S/C18H21ClN4O5S2/c1-28-8-7-20-15(24)13-10-5-3-4-6-12(10)29-17(13)23-16(25)14-11(19)9-21-18(22-14)30(2,26)27/h9H,3-8H2,1-2H3,(H,20,24)(H,23,25)