(2S)-2-[2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanoylamino]-N-ethyl-propanamide

Systemtic Name: (2S)-2-[2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanoylamino]-N-ethyl-propanamide Openeye Name: (2S)-2-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethyl-propanamide CAS Name: (2S)-2-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]-1-oxoethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethylpropanamide Traditional Name: (2S)-2-[[2-[4-(1,3-dithiolan-2-yl)phenoxy]acetyl]amino]-N-ethyl-propionamide Formula: C16H22N2O3S2 MolecularWeight: 354.48748

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)COC1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)COC1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C16H22N2O3S2/c1-3-17-15(20)11(2)18-14(19)10-21-13-6-4-12(5-7-13)16-22-8-9-23-16/h4-7,11,16H,3,8-10H2,1-2H3,(H,17,20)(H,18,19)/t11-/m0/s1