[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 4-fluoro-3-methyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-methyl-benzothiophene-2-carboxylic acid [(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H18FNO5S MolecularWeight: 415.434723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)O[C@H](C)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H18FNO5S/c1-11-18-14(22)4-3-5-17(18)29-19(11)21(25)28-12(2)20(24)23-13-6-7-15-16(10-13)27-9-8-26-15/h3-7,10,12H,8-9H2,1-2H3,(H,23,24)/t12-/m1/s1