O-[2-(2-bromanyl-4-ethoxy-phenyl)-3-oxidanylidene-8-thia-4-azaspiro[4.5]dec-1-en-1-yl] methylsulfanylmethanethioate

Systemtic Name: O-[2-(2-bromanyl-4-ethoxy-phenyl)-3-oxidanylidene-8-thia-4-azaspiro[4.5]dec-1-en-1-yl] methylsulfanylmethanethioate Openeye Name: O-[2-(2-bromo-4-ethoxy-phenyl)-3-oxo-8-thia-4-azaspiro[4.5]dec-1-en-1-yl] methylsulfanylmethanethioate CAS Name: (methylthio)methanethioic acid O-[2-(2-bromo-4-ethoxyphenyl)-3-oxo-8-thia-4-azaspiro[4.5]dec-1-en-1-yl] ester IUPAC Name: O-[2-(2-bromo-4-ethoxyphenyl)-3-oxo-8-thia-4-azaspiro[4.5]dec-1-en-1-yl] methylsulfanylmethanethioate Traditional Name: (methylthio)methanethioic acid O-[2-(2-bromo-4-ethoxy-phenyl)-3-keto-8-thia-4-azaspiro[4.5]dec-1-en-1-yl] ester Formula: C18H20BrNO3S3 MolecularWeight: 474.4553

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C2=C(C3(CCSCC3)NC2=O)OC(=S)SC)Br

Isomeric SMILES

CCOC1=CC(=C(C=C1)C2=C(C3(CCSCC3)NC2=O)OC(=S)SC)Br

InChI

InChI=1S/C18H20BrNO3S3/c1-3-22-11-4-5-12(13(19)10-11)14-15(23-17(24)25-2)18(20-16(14)21)6-8-26-9-7-18/h4-5,10H,3,6-9H2,1-2H3,(H,20,21)