methyl 2-[(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(5-chloro-2-methylsulfonyl-pyrimidine-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(5-chloro-2-methylsulfonyl-4-pyrimidinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(5-chloro-2-methylsulfonylpyrimidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2-mesyl-pyrimidine-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C16H16ClN3O5S2 MolecularWeight: 429.89834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O5S2/c1-25-15(22)11-8-5-3-4-6-10(8)26-14(11)20-13(21)12-9(17)7-18-16(19-12)27(2,23)24/h7H,3-6H2,1-2H3,(H,20,21)