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

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-methylfuran-3-carboxylate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-methylfuran-3-carboxylate CAS Name: 2-methyl-3-furancarboxylic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 2-methylfuran-3-carboxylate Traditional Name: 2-methylfuran-3-carboxylic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C17H16N2O4S MolecularWeight: 344.38494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O4S/c1-10-6-13(24-9-18)7-11(2)16(10)19-15(20)8-23-17(21)14-4-5-22-12(14)3/h4-7H,8H2,1-3H3,(H,19,20)