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

Systemtic Name: methyl 3-bromanyl-2-cyano-3-(phenylmethylsulfanyl)prop-2-enoate Openeye Name: methyl 3-benzylsulfanyl-3-bromo-2-cyano-prop-2-enoate CAS Name: 3-bromo-2-cyano-3-(phenylmethylthio)-2-propenoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-3-bromo-2-cyanoprop-2-enoate Traditional Name: 3-(benzylthio)-3-bromo-2-cyano-acrylic acid methyl ester Formula: C12H10BrNO2S MolecularWeight: 312.1823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10BrNO2S/c1-16-12(15)10(7-14)11(13)17-8-9-5-3-2-4-6-9/h2-6H,8H2,1H3