ethyl 3-[[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonyl-amino]sulfanyl-(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-[[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonyl-amino]sulfanyl-(phenylmethyl)amino]propanoate Openeye Name: ethyl 3-[benzyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonyl-amino]sulfanyl-amino]propanoate CAS Name: 3-[[[methyl-[[(Z)-1-(methylthio)ethylideneamino]oxy-oxomethyl]amino]thio]-(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[benzyl-[methyl-[(Z)-1-methylsulfanylethylideneamino]oxycarbonylamino]sulfanylamino]propanoate Traditional Name: 3-[benzyl-[[methyl-[(Z)-1-(methylthio)ethylideneamino]oxycarbonyl-amino]thio]amino]propionic acid ethyl ester Formula: C17H25N3O4S2 MolecularWeight: 399.5281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(CC1=CC=CC=C1)SN(C)C(=O)ON=C(C)SC

Isomeric SMILES

CCOC(=O)CCN(CC1=CC=CC=C1)SN(C)C(=O)O/N=C(/C)\SC

InChI

InChI=1S/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3/b18-14-