ethyl (E,4R)-4-[(4-methoxyphenyl)methylsulfanyl]oct-2-en-7-ynoate

Systemtic Name: ethyl (E,4R)-4-[(4-methoxyphenyl)methylsulfanyl]oct-2-en-7-ynoate Openeye Name: ethyl (E,4R)-4-[(4-methoxyphenyl)methylsulfanyl]oct-2-en-7-ynoate CAS Name: (E,4R)-4-[(4-methoxyphenyl)methylthio]oct-2-en-7-ynoic acid ethyl ester IUPAC Name: ethyl (E,4R)-4-[(4-methoxyphenyl)methylsulfanyl]oct-2-en-7-ynoate Traditional Name: (E,4R)-4-(p-anisylthio)oct-2-en-7-ynoic acid ethyl ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC#C)SCC1=CC=C(C=C1)OC

Isomeric SMILES

CCOC(=O)/C=C/[C@@H](CCC#C)SCC1=CC=C(C=C1)OC

InChI

InChI=1S/C18H22O3S/c1-4-6-7-17(12-13-18(19)21-5-2)22-14-15-8-10-16(20-3)11-9-15/h1,8-13,17H,5-7,14H2,2-3H3/b13-12+/t17-/m1/s1