methyl 2-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[(4-fluoranyl-3-methyl-1-benzothiophen-2-yl)carbonylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[(4-fluoro-3-methyl-benzothiophene-2-carbonyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(4-fluoro-3-methyl-1-benzothiophen-2-yl)-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)amino]-4-methylpentanoate Traditional Name: 2-[(4-fluoro-3-methyl-benzothiophene-2-carbonyl)amino]-4-methyl-valeric acid methyl ester Formula: C17H20FNO3S MolecularWeight: 337.409003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)NC(CC(C)C)C(=O)OC

InChI

InChI=1S/C17H20FNO3S/c1-9(2)8-12(17(21)22-4)19-16(20)15-10(3)14-11(18)6-5-7-13(14)23-15/h5-7,9,12H,8H2,1-4H3,(H,19,20)