methyl (2R)-2-[(3S)-1-(1,3-dithian-2-yl)pentan-3-yl]oxy-2-phenyl-ethanoate

Systemtic Name: methyl (2R)-2-[(3S)-1-(1,3-dithian-2-yl)pentan-3-yl]oxy-2-phenyl-ethanoate Openeye Name: methyl (2R)-2-[(1S)-3-(1,3-dithian-2-yl)-1-ethyl-propoxy]-2-phenyl-acetate CAS Name: (2R)-2-[(3S)-1-(1,3-dithian-2-yl)pentan-3-yl]oxy-2-phenylacetic acid methyl ester IUPAC Name: methyl (2R)-2-[(3S)-1-(1,3-dithian-2-yl)pentan-3-yl]oxy-2-phenylacetate Traditional Name: (2R)-2-[(1S)-3-(1,3-dithian-2-yl)-1-ethyl-propoxy]-2-phenyl-acetic acid methyl ester Formula: C18H26O3S2 MolecularWeight: 354.52724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1SCCCS1)OC(C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC[C@@H](CCC1SCCCS1)O[C@H](C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H26O3S2/c1-3-15(10-11-16-22-12-7-13-23-16)21-17(18(19)20-2)14-8-5-4-6-9-14/h4-6,8-9,15-17H,3,7,10-13H2,1-2H3/t15-,17+/m0/s1