[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl] 4-fluoro-3-methyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-methyl-benzothiophene-2-carboxylic acid [2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl] ester Formula: C16H18FNO3S MolecularWeight: 323.382423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=C(C2=C(C=CC=C2S1)F)C

Isomeric SMILES

CC[C@H](C)NC(=O)COC(=O)C1=C(C2=C(C=CC=C2S1)F)C

InChI

InChI=1S/C16H18FNO3S/c1-4-9(2)18-13(19)8-21-16(20)15-10(3)14-11(17)6-5-7-12(14)22-15/h5-7,9H,4,8H2,1-3H3,(H,18,19)/t9-/m0/s1