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

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 3-cyclopentylpropanoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] 3-cyclopentylpropanoate CAS Name: 3-cyclopentylpropanoic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] 3-cyclopentylpropanoate Traditional Name: 3-cyclopentylpropionic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)COC(=O)CCC2CCCC2)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)COC(=O)CCC2CCCC2)C)SC#N

InChI

InChI=1S/C19H24N2O3S/c1-13-9-16(25-12-20)10-14(2)19(13)21-17(22)11-24-18(23)8-7-15-5-3-4-6-15/h9-10,15H,3-8,11H2,1-2H3,(H,21,22)