[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-(1,3-thiazol-4-ylmethoxy)benzoate

Systemtic Name: [(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: [(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 4-(thiazol-4-ylmethoxy)benzoate CAS Name: 4-(4-thiazolylmethoxy)benzoic acid [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 4-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 4-(thiazol-4-ylmethoxy)benzoic acid [(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)OCC3=CSC=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)OCC3=CSC=N3

InChI

InChI=1S/C22H21NO5S/c1-3-26-19-8-4-16(5-9-19)21(24)15(2)28-22(25)17-6-10-20(11-7-17)27-12-18-13-29-14-23-18/h4-11,13-15H,3,12H2,1-2H3/t15-/m0/s1