O1-ethyl O5-(2-methylsulfanylethyl) (Z,4Z)-2-isocyano-4-(oxidanylmethylidene)pent-2-enedioate

Systemtic Name: O1-ethyl O5-(2-methylsulfanylethyl) (Z,4Z)-2-isocyano-4-(oxidanylmethylidene)pent-2-enedioate Openeye Name: O1-ethyl O5-(2-methylsulfanylethyl) (Z,4Z)-4-(hydroxymethylene)-2-isocyano-pent-2-enedioate CAS Name: (Z,4Z)-4-(hydroxymethylidene)-2-isocyano-2-pentenedioic acid O1-ethyl ester O5-[2-(methylthio)ethyl] ester IUPAC Name: 1-O-ethyl 5-O-(2-methylsulfanylethyl) (Z,4Z)-4-(hydroxymethylidene)-2-isocyanopent-2-enedioate Traditional Name: (Z,4Z)-4-(hydroxymethylene)-2-isocyano-pent-2-enedioic acid O1-ethyl ester O5-[2-(methylthio)ethyl] ester Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC(=CO)C(=O)OCCSC)[N+]#[C-]

Isomeric SMILES

CCOC(=O)/C(=C/C(=C/O)/C(=O)OCCSC)/[N+]#[C-]

InChI

InChI=1S/C12H15NO5S/c1-4-17-12(16)10(13-2)7-9(8-14)11(15)18-5-6-19-3/h7-8,14H,4-6H2,1,3H3/b9-8-,10-7-