methyl 1-[(4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[(4-fluoranyl-1-benzothiophen-2-yl)carbonylamino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[(4-fluorobenzothiophene-2-carbonyl)amino]cycloheptanecarboxylate CAS Name: 1-[[(4-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-fluoro-1-benzothiophene-2-carbonyl)amino]cycloheptane-1-carboxylate Traditional Name: 1-[(4-fluorobenzothiophene-2-carbonyl)amino]cycloheptanecarboxylic acid methyl ester Formula: C18H20FNO3S MolecularWeight: 349.419703

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCC1)NC(=O)C2=CC3=C(C=CC=C3S2)F

Isomeric SMILES

COC(=O)C1(CCCCCC1)NC(=O)C2=CC3=C(C=CC=C3S2)F

InChI

InChI=1S/C18H20FNO3S/c1-23-17(22)18(9-4-2-3-5-10-18)20-16(21)15-11-12-13(19)7-6-8-14(12)24-15/h6-8,11H,2-5,9-10H2,1H3,(H,20,21)