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

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 4-fluoro-3-methyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-methyl-benzothiophene-2-carboxylic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C18H17FN2O3S MolecularWeight: 360.402583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)OCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)OCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C18H17FN2O3S/c1-10-15-12(19)4-3-5-13(15)25-16(10)17(23)24-8-14(22)21-18(2,9-20)11-6-7-11/h3-5,11H,6-8H2,1-2H3,(H,21,22)/t18-/m1/s1