ethyl 3-[(E)-N-(methoxycarbonylamino)-C-[(4-methylphenyl)methyl]carbonimidoyl]sulfanylpropanoate

Systemtic Name: ethyl 3-[(E)-N-(methoxycarbonylamino)-C-[(4-methylphenyl)methyl]carbonimidoyl]sulfanylpropanoate Openeye Name: ethyl 3-[(E)-N-(methoxycarbonylamino)-C-(p-tolylmethyl)carbonimidoyl]sulfanylpropanoate CAS Name: 3-[[(1E)-1-(methoxycarbonylhydrazinylidene)-2-(4-methylphenyl)ethyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(E)-N-(methoxycarbonylamino)-C-[(4-methylphenyl)methyl]carbonimidoyl]sulfanylpropanoate Traditional Name: 3-[[(E)-N-(carbomethoxyamino)-C-(4-methylbenzyl)carbonimidoyl]thio]propionic acid ethyl ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC(=NNC(=O)OC)CC1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)CCS/C(=N/NC(=O)OC)/CC1=CC=C(C=C1)C

InChI

InChI=1S/C16H22N2O4S/c1-4-22-15(19)9-10-23-14(17-18-16(20)21-3)11-13-7-5-12(2)6-8-13/h5-8H,4,9-11H2,1-3H3,(H,18,20)/b17-14+