methyl 2-[azanyl-[2-(4-methylphenoxy)ethyl]carbamothioyl]sulfanyl-2-cyano-ethanoate

Systemtic Name: methyl 2-[azanyl-[2-(4-methylphenoxy)ethyl]carbamothioyl]sulfanyl-2-cyano-ethanoate Openeye Name: methyl 2-[amino-[2-(4-methylphenoxy)ethyl]carbamothioyl]sulfanyl-2-cyano-acetate CAS Name: 2-[[[amino-[2-(4-methylphenoxy)ethyl]amino]-sulfanylidenemethyl]thio]-2-cyanoacetic acid methyl ester IUPAC Name: methyl 2-[amino-[2-(4-methylphenoxy)ethyl]carbamothioyl]sulfanyl-2-cyanoacetate Traditional Name: 2-[[amino-[2-(4-methylphenoxy)ethyl]thiocarbamoyl]thio]-2-cyano-acetic acid methyl ester Formula: C14H17N3O3S2 MolecularWeight: 339.43308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCN(C(=S)SC(C#N)C(=O)OC)N

Isomeric SMILES

CC1=CC=C(C=C1)OCCN(C(=S)SC(C#N)C(=O)OC)N

InChI

InChI=1S/C14H17N3O3S2/c1-10-3-5-11(6-4-10)20-8-7-17(16)14(21)22-12(9-15)13(18)19-2/h3-6,12H,7-8,16H2,1-2H3