ethyl (2R)-2-[(1R,2E)-2-[(2S)-2-methyl-3-phenylmethoxy-propylidene]cyclohexyl]-2-phenylsulfanyl-ethanoate

Systemtic Name: ethyl (2R)-2-[(1R,2E)-2-[(2S)-2-methyl-3-phenylmethoxy-propylidene]cyclohexyl]-2-phenylsulfanyl-ethanoate Openeye Name: ethyl (2R)-2-[(1R,2E)-2-[(2S)-3-benzyloxy-2-methyl-propylidene]cyclohexyl]-2-phenylsulfanyl-acetate CAS Name: (2R)-2-[(1R,2E)-2-[(2S)-2-methyl-3-phenylmethoxypropylidene]cyclohexyl]-2-(phenylthio)acetic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(1R,2E)-2-[(2S)-2-methyl-3-phenylmethoxypropylidene]cyclohexyl]-2-phenylsulfanylacetate Traditional Name: (2R)-2-[(1R,2E)-2-[(2S)-3-benzoxy-2-methyl-propylidene]cyclohexyl]-2-(phenylthio)acetic acid ethyl ester Formula: C27H34O3S MolecularWeight: 438.62206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CCCCC1=CC(C)COCC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]([C@@H]\1CCCC/C1=C\[C@H](C)COCC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C27H34O3S/c1-3-30-27(28)26(31-24-15-8-5-9-16-24)25-17-11-10-14-23(25)18-21(2)19-29-20-22-12-6-4-7-13-22/h4-9,12-13,15-16,18,21,25-26H,3,10-11,14,17,19-20H2,1-2H3/b23-18+/t21-,25+,26+/m0/s1