[(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [(1R)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [(2R)-1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [(1R)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H18ClNO4S MolecularWeight: 367.84712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CO1)OC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H18ClNO4S/c1-12(17(21)19-11-14-3-2-9-22-14)23-16(20)8-10-24-15-6-4-13(18)5-7-15/h2-7,9,12H,8,10-11H2,1H3,(H,19,21)/t12-/m1/s1