ethyl 3-[(E)-3-(4-bromophenyl)-3-oxidanylidene-1-sulfanyl-prop-1-enyl]sulfanylpropanoate

Systemtic Name: ethyl 3-[(E)-3-(4-bromophenyl)-3-oxidanylidene-1-sulfanyl-prop-1-enyl]sulfanylpropanoate Openeye Name: ethyl 3-[(E)-3-(4-bromophenyl)-3-oxo-1-sulfanyl-prop-1-enyl]sulfanylpropanoate CAS Name: 3-[[(E)-3-(4-bromophenyl)-1-mercapto-3-oxoprop-1-enyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(E)-3-(4-bromophenyl)-3-oxo-1-sulfanylprop-1-enyl]sulfanylpropanoate Traditional Name: 3-[[(E)-3-(4-bromophenyl)-3-keto-1-mercapto-prop-1-enyl]thio]propionic acid ethyl ester Formula: C14H15BrO3S2 MolecularWeight: 375.3011

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC(=CC(=O)C1=CC=C(C=C1)Br)S

Isomeric SMILES

CCOC(=O)CCS/C(=C/C(=O)C1=CC=C(C=C1)Br)/S

InChI

InChI=1S/C14H15BrO3S2/c1-2-18-13(17)7-8-20-14(19)9-12(16)10-3-5-11(15)6-4-10/h3-6,9,19H,2,7-8H2,1H3/b14-9+