ethyl (1S,2S)-2-[(E)-3-(3-methylsulfanylphenyl)prop-2-enoyl]cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-2-[(E)-3-(3-methylsulfanylphenyl)prop-2-enoyl]cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-[(E)-3-(3-methylsulfanylphenyl)prop-2-enoyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[(E)-3-[3-(methylthio)phenyl]-1-oxoprop-2-enyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-[(E)-3-(3-methylsulfanylphenyl)prop-2-enoyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-[(E)-3-[3-(methylthio)phenyl]acryloyl]cyclopropanecarboxylic acid ethyl ester Formula: C16H18O3S MolecularWeight: 290.37732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1C(=O)C=CC2=CC(=CC=C2)SC

Isomeric SMILES

CCOC(=O)[C@H]1C[C@@H]1C(=O)/C=C/C2=CC(=CC=C2)SC

InChI

InChI=1S/C16H18O3S/c1-3-19-16(18)14-10-13(14)15(17)8-7-11-5-4-6-12(9-11)20-2/h4-9,13-14H,3,10H2,1-2H3/b8-7+/t13-,14-/m0/s1