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

Systemtic Name: ethyl 5-(butanoylamino)-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-(butanoylamino)-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 3-methyl-5-(1-oxobutylamino)-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(butanoylamino)-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-butyramido-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C13H16N2O3S2 MolecularWeight: 312.40774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S2/c1-4-6-9(16)15-12-10(19-7-14)8(3)11(20-12)13(17)18-5-2/h4-6H2,1-3H3,(H,15,16)