[2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] (1S,2S)-2-methylcyclopropanecarboxylate CAS Name: (1S,2S)-2-methyl-1-cyclopropanecarboxylic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-methylcyclopropanecarboxylic acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C

Isomeric SMILES

C[C@H]1C[C@@H]1C(=O)OCC(=O)NC2=C(C=C(C=C2)SC#N)C

InChI

InChI=1S/C15H16N2O3S/c1-9-6-12(9)15(19)20-7-14(18)17-13-4-3-11(21-8-16)5-10(13)2/h3-5,9,12H,6-7H2,1-2H3,(H,17,18)/t9-,12-/m0/s1