ethyl 3-bromanyl-2-cyano-3-(phenylmethylsulfanyl)prop-2-enoate

Systemtic Name: ethyl 3-bromanyl-2-cyano-3-(phenylmethylsulfanyl)prop-2-enoate Openeye Name: ethyl 3-benzylsulfanyl-3-bromo-2-cyano-prop-2-enoate CAS Name: 3-bromo-2-cyano-3-(phenylmethylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-3-bromo-2-cyanoprop-2-enoate Traditional Name: 3-(benzylthio)-3-bromo-2-cyano-acrylic acid ethyl ester Formula: C13H12BrNO2S MolecularWeight: 326.20888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(SCC1=CC=CC=C1)Br)C#N

Isomeric SMILES

CCOC(=O)C(=C(SCC1=CC=CC=C1)Br)C#N

InChI

InChI=1S/C13H12BrNO2S/c1-2-17-13(16)11(8-15)12(14)18-9-10-6-4-3-5-7-10/h3-7H,2,9H2,1H3