ethyl (E,4R,6S)-7,7-bis(ethylsulfanyl)-2,6-dimethyl-4-phenylmethoxy-hept-2-enoate

Systemtic Name: ethyl (E,4R,6S)-7,7-bis(ethylsulfanyl)-2,6-dimethyl-4-phenylmethoxy-hept-2-enoate Openeye Name: ethyl (E,4R,6S)-4-benzyloxy-7,7-bis(ethylsulfanyl)-2,6-dimethyl-hept-2-enoate CAS Name: (E,4R,6S)-7,7-bis(ethylthio)-2,6-dimethyl-4-phenylmethoxy-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4R,6S)-7,7-bis(ethylsulfanyl)-2,6-dimethyl-4-phenylmethoxyhept-2-enoate Traditional Name: (E,4R,6S)-4-benzoxy-7,7-bis(ethylthio)-2,6-dimethyl-hept-2-enoic acid ethyl ester Formula: C22H34O3S2 MolecularWeight: 410.63356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(CC(C)C(SCC)SCC)OCC1=CC=CC=C1)C

Isomeric SMILES

CCOC(=O)/C(=C/[C@@H](C[C@H](C)C(SCC)SCC)OCC1=CC=CC=C1)/C

InChI

InChI=1S/C22H34O3S2/c1-6-24-21(23)17(4)14-20(25-16-19-12-10-9-11-13-19)15-18(5)22(26-7-2)27-8-3/h9-14,18,20,22H,6-8,15-16H2,1-5H3/b17-14+/t18-,20-/m0/s1