[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl] 5-fluoranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxo-ethyl] 5-fluorobenzothiophene-2-carboxylate CAS Name: 5-fluoro-1-benzothiophene-2-carboxylic acid [2-[[[[(1R,2S)-2-methylcyclohexyl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 5-fluoro-1-benzothiophene-2-carboxylate Traditional Name: 5-fluorobenzothiophene-2-carboxylic acid [2-keto-2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]ethyl] ester Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=CC3=C(S2)C=CC(=C3)F

InChI

InChI=1S/C19H21FN2O4S/c1-11-4-2-3-5-14(11)21-19(25)22-17(23)10-26-18(24)16-9-12-8-13(20)6-7-15(12)27-16/h6-9,11,14H,2-5,10H2,1H3,(H2,21,22,23,25)/t11-,14+/m0/s1