methyl 1-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]cyclohexanecarboxylate CAS Name: 1-[[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)amino]cyclohexane-1-carboxylate Traditional Name: 1-[(3-chloro-6-fluoro-benzothiophene-2-carbonyl)amino]cyclohexanecarboxylic acid methyl ester Formula: C17H17ClFNO3S MolecularWeight: 369.838183

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl

InChI

InChI=1S/C17H17ClFNO3S/c1-23-16(22)17(7-3-2-4-8-17)20-15(21)14-13(18)11-6-5-10(19)9-12(11)24-14/h5-6,9H,2-4,7-8H2,1H3,(H,20,21)