ethyl 4-methyl-5-oxidanylidene-2-phenylsulfanylcarbothioyl-1,2-oxazole-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-oxidanylidene-2-phenylsulfanylcarbothioyl-1,2-oxazole-3-carboxylate Openeye Name: ethyl 4-methyl-5-oxo-2-phenylsulfanylcarbothioyl-isoxazole-3-carboxylate CAS Name: 4-methyl-5-oxo-2-[(phenylthio)-sulfanylidenemethyl]-3-isoxazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-oxo-2-phenylsulfanylcarbothioyl-1,2-oxazole-3-carboxylate Traditional Name: 5-keto-4-methyl-2-(phenylthio)carbothioyl-3-isoxazoline-3-carboxylic acid ethyl ester Formula: C14H13NO4S2 MolecularWeight: 323.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)ON1C(=S)SC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=O)ON1C(=S)SC2=CC=CC=C2)C

InChI

InChI=1S/C14H13NO4S2/c1-3-18-13(17)11-9(2)12(16)19-15(11)14(20)21-10-7-5-4-6-8-10/h4-8H,3H2,1-2H3