[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethylfuran-3-carboxylate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethylfuran-3-carboxylate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2,4,5-trimethylfuran-3-carboxylate CAS Name: 2,4,5-trimethyl-3-furancarboxylic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate Traditional Name: 2,4,5-trimethylfuran-3-carboxylic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)C2=C(OC(=C2C)C)C)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)C2=C(OC(=C2C)C)C)C)SC#N

InChI

InChI=1S/C19H20N2O4S/c1-10-6-15(26-9-20)7-11(2)18(10)21-16(22)8-24-19(23)17-12(3)13(4)25-14(17)5/h6-7H,8H2,1-5H3,(H,21,22)