[(2S,3R)-1-(4-methoxyphenyl)-1-oxidanylidene-3-phenyl-3-thiocyanato-propan-2-yl] ethanoate

Systemtic Name: [(2S,3R)-1-(4-methoxyphenyl)-1-oxidanylidene-3-phenyl-3-thiocyanato-propan-2-yl] ethanoate Openeye Name: [(1S,2R)-1-(4-methoxybenzoyl)-2-phenyl-2-thiocyanato-ethyl] acetate CAS Name: acetic acid [(2S,3R)-1-(4-methoxyphenyl)-1-oxo-3-phenyl-3-thiocyanatopropan-2-yl] ester IUPAC Name: [(2S,3R)-1-(4-methoxyphenyl)-1-oxo-3-phenyl-3-thiocyanatopropan-2-yl] acetate Traditional Name: acetic acid [(1S,2R)-1-p-anisoyl-2-phenyl-2-thiocyanato-ethyl] ester Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C(C1=CC=CC=C1)SC#N)C(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)O[C@H]([C@@H](C1=CC=CC=C1)SC#N)C(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C19H17NO4S/c1-13(21)24-18(17(22)14-8-10-16(23-2)11-9-14)19(25-12-20)15-6-4-3-5-7-15/h3-11,18-19H,1-2H3/t18-,19+/m0/s1