ethyl (E,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)sulfanyl-hex-4-enoate

Systemtic Name: ethyl (E,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)sulfanyl-hex-4-enoate Openeye Name: ethyl (E,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)sulfanyl-hex-4-enoate CAS Name: (E,3S)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)thio]-4-hexenoic acid ethyl ester IUPAC Name: ethyl (E,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)sulfanylhex-4-enoate Traditional Name: (E,3S)-3-(4-chlorophenyl)-2-[(4-methoxyphenyl)thio]hex-4-enoic acid ethyl ester Formula: C21H23ClO3S MolecularWeight: 390.92352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C=CC)C1=CC=C(C=C1)Cl)SC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C([C@@H](/C=C/C)C1=CC=C(C=C1)Cl)SC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H23ClO3S/c1-4-6-19(15-7-9-16(22)10-8-15)20(21(23)25-5-2)26-18-13-11-17(24-3)12-14-18/h4,6-14,19-20H,5H2,1-3H3/b6-4+/t19-,20?/m0/s1