[2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 5-isopropyl-3-methyl-isoxazole-4-carboxylate CAS Name: 3-methyl-5-propan-2-yl-4-isoxazolecarboxylic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Traditional Name: 5-isopropyl-3-methyl-isoxazole-4-carboxylic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-10(2)18-16(13(5)22-26-18)19(24)25-8-15(23)21-17-11(3)6-14(27-9-20)7-12(17)4/h6-7,10H,8H2,1-5H3,(H,21,23)