ethyl 2-methyl-3-oxidanylidene-3-phenyl-2-thiocyanato-propanoate

Systemtic Name: ethyl 2-methyl-3-oxidanylidene-3-phenyl-2-thiocyanato-propanoate Openeye Name: ethyl 2-methyl-3-oxo-3-phenyl-2-thiocyanato-propanoate CAS Name: 2-methyl-3-oxo-3-phenyl-2-thiocyanatopropanoic acid ethyl ester IUPAC Name: ethyl 2-methyl-3-oxo-3-phenyl-2-thiocyanatopropanoate Traditional Name: 3-keto-2-methyl-3-phenyl-2-thiocyanato-propionic acid ethyl ester Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C(=O)C1=CC=CC=C1)SC#N

Isomeric SMILES

CCOC(=O)C(C)(C(=O)C1=CC=CC=C1)SC#N

InChI

InChI=1S/C13H13NO3S/c1-3-17-12(16)13(2,18-9-14)11(15)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3