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

Systemtic Name: methyl 2-[(5-chloranyl-2-ethylsulfonyl-pyrimidin-4-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H18ClN3O5S2 MolecularWeight: 443.92492

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Cl

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Cl

InChI

InChI=1S/C17H18ClN3O5S2/c1-3-28(24,25)17-19-8-10(18)13(20-17)14(22)21-15-12(16(23)26-2)9-6-4-5-7-11(9)27-15/h8H,3-7H2,1-2H3,(H,21,22)