[(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [(1R)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [(2R)-1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [(1R)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC(=O)OC(C)C(=O)NCC2=CC=CO2)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC(=O)O[C@H](C)C(=O)NCC2=CC=CO2)C

InChI

InChI=1S/C18H21NO4S/c1-12-6-7-16(9-13(12)2)24-11-17(20)23-14(3)18(21)19-10-15-5-4-8-22-15/h4-9,14H,10-11H2,1-3H3,(H,19,21)/t14-/m1/s1