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

Systemtic Name: [2-[(2,6-dimethyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] propanoate Openeye Name: [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-oxo-ethyl] propanoate CAS Name: propanoic acid [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethyl-4-thiocyanatoanilino)-2-oxoethyl] propanoate Traditional Name: propionic acid [2-(2,6-dimethyl-4-thiocyanato-anilino)-2-keto-ethyl] ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC(=O)NC1=C(C=C(C=C1C)SC#N)C

Isomeric SMILES

CCC(=O)OCC(=O)NC1=C(C=C(C=C1C)SC#N)C

InChI

InChI=1S/C14H16N2O3S/c1-4-13(18)19-7-12(17)16-14-9(2)5-11(20-8-15)6-10(14)3/h5-6H,4,7H2,1-3H3,(H,16,17)