methyl (E)-2-cyano-3-[(2,4-dichlorophenyl)methylamino]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[(2,4-dichlorophenyl)methylamino]-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[(2,4-dichlorophenyl)methylamino]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[(2,4-dichlorophenyl)methylamino]-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[(2,4-dichlorophenyl)methylamino]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[(2,4-dichlorobenzyl)amino]-3-(methylthio)acrylic acid methyl ester Formula: C13H12Cl2N2O2S MolecularWeight: 331.21758

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(NCC1=C(C=C(C=C1)Cl)Cl)SC)C#N

Isomeric SMILES

COC(=O)/C(=C(\NCC1=C(C=C(C=C1)Cl)Cl)/SC)/C#N

InChI

InChI=1S/C13H12Cl2N2O2S/c1-19-13(18)10(6-16)12(20-2)17-7-8-3-4-9(14)5-11(8)15/h3-5,17H,7H2,1-2H3/b12-10+