ethyl 2-[(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-chloranyl-2-methylsulfonyl-pyrimidin-4-yl)carbonylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-chloro-2-methylsulfonyl-pyrimidine-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(5-chloro-2-methylsulfonyl-4-pyrimidinyl)-oxomethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-methylsulfonylpyrimidine-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2-mesyl-pyrimidine-4-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C16H16ClN3O5S2 MolecularWeight: 429.89834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=NC(=NC=C3Cl)S(=O)(=O)C

InChI

InChI=1S/C16H16ClN3O5S2/c1-3-25-15(22)11-8-5-4-6-10(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)