[(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-(methoxycarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-(methoxycarbonylamino)-1-methyl-2-oxo-ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [(1R)-2-(carbomethoxyamino)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)OC)OC(=O)C1=C(C2=CC=CC=C2O1)CSC3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC(=O)OC)OC(=O)C1=C(C2=CC=CC=C2O1)CSC3CCCCC3

InChI

InChI=1S/C21H25NO6S/c1-13(19(23)22-21(25)26-2)27-20(24)18-16(12-29-14-8-4-3-5-9-14)15-10-6-7-11-17(15)28-18/h6-7,10-11,13-14H,3-5,8-9,12H2,1-2H3,(H,22,23,25)/t13-/m1/s1