[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-cyclopentylethanoate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] 2-cyclopentylethanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] 2-cyclopentylacetate CAS Name: 2-cyclopentylacetic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] 2-cyclopentylacetate Traditional Name: 2-cyclopentylacetic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)CC2CCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)SC#N)NC(=O)COC(=O)CC2CCCC2

InChI

InChI=1S/C17H20N2O3S/c1-12-8-14(23-11-18)6-7-15(12)19-16(20)10-22-17(21)9-13-4-2-3-5-13/h6-8,13H,2-5,9-10H2,1H3,(H,19,20)