methyl (E)-3-azanyl-2-cyano-3-phenylsulfanyl-prop-2-enoate

Systemtic Name: methyl (E)-3-azanyl-2-cyano-3-phenylsulfanyl-prop-2-enoate Openeye Name: methyl (E)-3-amino-2-cyano-3-phenylsulfanyl-prop-2-enoate CAS Name: (E)-3-amino-2-cyano-3-(phenylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-amino-2-cyano-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-amino-2-cyano-3-(phenylthio)acrylic acid methyl ester Formula: C11H10N2O2S MolecularWeight: 234.2743

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(N)SC1=CC=CC=C1)C#N

Isomeric SMILES

COC(=O)/C(=C(\N)/SC1=CC=CC=C1)/C#N

InChI

InChI=1S/C11H10N2O2S/c1-15-11(14)9(7-12)10(13)16-8-5-3-2-4-6-8/h2-6H,13H2,1H3/b10-9+