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

Systemtic Name: ethyl 2-[(5-chloranyl-2-ethylsulfonyl-pyrimidin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(5-chloro-2-ethylsulfonyl-pyrimidine-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(5-chloro-2-ethylsulfonyl-4-pyrimidinyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-ethylsulfonylpyrimidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(5-chloro-2-esyl-pyrimidine-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H20ClN3O5S2 MolecularWeight: 457.9515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O5S2/c1-3-27-17(24)13-10-7-5-6-8-12(10)28-16(13)22-15(23)14-11(19)9-20-18(21-14)29(25,26)4-2/h9H,3-8H2,1-2H3,(H,22,23)