diethyl 2-[[(Z)-3-azanyl-1-methylsulfanyl-3-oxidanylidene-prop-1-enyl]iminomethyl]propanedioate

Systemtic Name: diethyl 2-[[(Z)-3-azanyl-1-methylsulfanyl-3-oxidanylidene-prop-1-enyl]iminomethyl]propanedioate Openeye Name: diethyl 2-[[(Z)-3-amino-1-methylsulfanyl-3-oxo-prop-1-enyl]iminomethyl]propanedioate CAS Name: 2-[[(Z)-3-amino-1-(methylthio)-3-oxoprop-1-enyl]iminomethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(Z)-3-amino-1-methylsulfanyl-3-oxoprop-1-enyl]iminomethyl]propanedioate Traditional Name: 2-[[(Z)-3-amino-3-keto-1-(methylthio)prop-1-enyl]iminomethyl]malonic acid diethyl ester Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NC(=CC(=O)N)SC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C=N/C(=C/C(=O)N)/SC)C(=O)OCC

InChI

InChI=1S/C12H18N2O5S/c1-4-18-11(16)8(12(17)19-5-2)7-14-10(20-3)6-9(13)15/h6-8H,4-5H2,1-3H3,(H2,13,15)/b10-6-,14-7?