ethyl 3-methyl-5-(pentanoylamino)-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-(pentanoylamino)-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-(pentanoylamino)-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-(1-oxopentylamino)-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-(pentanoylamino)-4-thiocyanatothiophene-2-carboxylate Traditional Name: 3-methyl-4-thiocyanato-5-(valerylamino)thiophene-2-carboxylic acid ethyl ester Formula: C14H18N2O3S2 MolecularWeight: 326.43432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=C(S1)C(=O)OCC)C)SC#N

Isomeric SMILES

CCCCC(=O)NC1=C(C(=C(S1)C(=O)OCC)C)SC#N

InChI

InChI=1S/C14H18N2O3S2/c1-4-6-7-10(17)16-13-11(20-8-15)9(3)12(21-13)14(18)19-5-2/h4-7H2,1-3H3,(H,16,17)