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

Systemtic Name: ethyl 3-[(E)-C-[(4-tert-butylphenyl)methyl]-N-(methoxycarbonylamino)carbonimidoyl]sulfanylpropanoate Openeye Name: ethyl 3-[(E)-C-[(4-tert-butylphenyl)methyl]-N-(methoxycarbonylamino)carbonimidoyl]sulfanylpropanoate CAS Name: 3-[[(1E)-2-(4-tert-butylphenyl)-1-(methoxycarbonylhydrazinylidene)ethyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(E)-C-[(4-tert-butylphenyl)methyl]-N-(methoxycarbonylamino)carbonimidoyl]sulfanylpropanoate Traditional Name: 3-[[(E)-C-(4-tert-butylbenzyl)-N-(carbomethoxyamino)carbonimidoyl]thio]propionic acid ethyl ester Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4S/c1-6-25-17(22)11-12-26-16(20-21-18(23)24-5)13-14-7-9-15(10-8-14)19(2,3)4/h7-10H,6,11-13H2,1-5H3,(H,21,23)/b20-16+