ethyl (2S)-2-[(4-methoxyphenyl)amino]-2-[(3R)-4-oxidanylidenethian-3-yl]ethanoate

Systemtic Name: ethyl (2S)-2-[(4-methoxyphenyl)amino]-2-[(3R)-4-oxidanylidenethian-3-yl]ethanoate Openeye Name: ethyl (2S)-2-(4-methoxyanilino)-2-[(3R)-4-oxotetrahydrothiopyran-3-yl]acetate CAS Name: (2S)-2-(4-methoxyanilino)-2-[(3R)-4-oxo-3-thianyl]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-(4-methoxyanilino)-2-[(3R)-4-oxothian-3-yl]acetate Traditional Name: (2S)-2-[(3R)-4-ketotetrahydrothiopyran-3-yl]-2-(p-anisidino)acetic acid ethyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CSCCC1=O)NC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)[C@H]([C@H]1CSCCC1=O)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C16H21NO4S/c1-3-21-16(19)15(13-10-22-9-8-14(13)18)17-11-4-6-12(20-2)7-5-11/h4-7,13,15,17H,3,8-10H2,1-2H3/t13-,15-/m0/s1