methyl 2-[bis(methylsulfanyl)methylideneamino]-3-(2-iodanylphenyl)propanoate

Systemtic Name: methyl 2-[bis(methylsulfanyl)methylideneamino]-3-(2-iodanylphenyl)propanoate Openeye Name: methyl 2-[bis(methylsulfanyl)methyleneamino]-3-(2-iodophenyl)propanoate CAS Name: 2-[bis(methylthio)methylideneamino]-3-(2-iodophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[bis(methylsulfanyl)methylideneamino]-3-(2-iodophenyl)propanoate Traditional Name: 2-[bis(methylthio)methyleneamino]-3-(2-iodophenyl)propionic acid methyl ester Formula: C13H16INO2S2 MolecularWeight: 409.30611

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1I)N=C(SC)SC

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1I)N=C(SC)SC

InChI

InChI=1S/C13H16INO2S2/c1-17-12(16)11(15-13(18-2)19-3)8-9-6-4-5-7-10(9)14/h4-7,11H,8H2,1-3H3