ethyl 2-[1,1-bis(methylsulfanyl)-3-oxidanyl-hexa-1,5-dien-3-yl]-3-(4-methoxyphenyl)cyclopropane-1-carboxylate

Systemtic Name: ethyl 2-[1,1-bis(methylsulfanyl)-3-oxidanyl-hexa-1,5-dien-3-yl]-3-(4-methoxyphenyl)cyclopropane-1-carboxylate Openeye Name: ethyl 2-[1-[2,2-bis(methylsulfanyl)vinyl]-1-hydroxy-but-3-enyl]-3-(4-methoxyphenyl)cyclopropanecarboxylate CAS Name: 2-[3-hydroxy-1,1-bis(methylthio)hexa-1,5-dien-3-yl]-3-(4-methoxyphenyl)-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-hydroxy-1,1-bis(methylsulfanyl)hexa-1,5-dien-3-yl]-3-(4-methoxyphenyl)cyclopropane-1-carboxylate Traditional Name: 2-[1-[2,2-bis(methylthio)vinyl]-1-hydroxy-but-3-enyl]-3-(4-methoxyphenyl)cyclopropanecarboxylic acid ethyl ester Formula: C21H28O4S2 MolecularWeight: 408.57462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C1C(CC=C)(C=C(SC)SC)O)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1C(C1C(CC=C)(C=C(SC)SC)O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H28O4S2/c1-6-12-21(23,13-16(26-4)27-5)19-17(18(19)20(22)25-7-2)14-8-10-15(24-3)11-9-14/h6,8-11,13,17-19,23H,1,7,12H2,2-5H3