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

Systemtic Name: [2-[(2-methyl-4-thiocyanato-phenyl)amino]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-(2-methyl-4-thiocyanato-anilino)-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-thiocyanatoanilino)-2-oxoethyl] butanoate Traditional Name: butyric acid [2-keto-2-(2-methyl-4-thiocyanato-anilino)ethyl] ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(=O)NC1=C(C=C(C=C1)SC#N)C

Isomeric SMILES

CCCC(=O)OCC(=O)NC1=C(C=C(C=C1)SC#N)C

InChI

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