ethyl 2-[(3S,4R,5S)-4-methanoyl-5-(2-methoxyphenyl)thiolan-3-yl]ethanoate

Systemtic Name: ethyl 2-[(3S,4R,5S)-4-methanoyl-5-(2-methoxyphenyl)thiolan-3-yl]ethanoate Openeye Name: ethyl 2-[(3S,4R,5S)-4-formyl-5-(2-methoxyphenyl)tetrahydrothiophen-3-yl]acetate CAS Name: 2-[(3S,4R,5S)-4-formyl-5-(2-methoxyphenyl)-3-thiolanyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3S,4R,5S)-4-formyl-5-(2-methoxyphenyl)thiolan-3-yl]acetate Traditional Name: 2-[(3S,4R,5S)-4-formyl-5-(2-methoxyphenyl)tetrahydrothiophen-3-yl]acetic acid ethyl ester Formula: C16H20O4S MolecularWeight: 308.3926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CSC(C1C=O)C2=CC=CC=C2OC

Isomeric SMILES

CCOC(=O)C[C@@H]1CS[C@@H]([C@H]1C=O)C2=CC=CC=C2OC

InChI

InChI=1S/C16H20O4S/c1-3-20-15(18)8-11-10-21-16(13(11)9-17)12-6-4-5-7-14(12)19-2/h4-7,9,11,13,16H,3,8,10H2,1-2H3/t11-,13+,16-/m1/s1