methyl 2-(2-cyanoethanoylamino)-5-propyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-cyanoethanoylamino)-5-propyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-cyanoacetyl)amino]-5-propyl-thiophene-3-carboxylate CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-5-propyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-cyanoacetyl)amino]-5-propylthiophene-3-carboxylate Traditional Name: 2-[(2-cyanoacetyl)amino]-5-propyl-thiophene-3-carboxylic acid methyl ester Formula: C12H14N2O3S MolecularWeight: 266.31616

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(S1)NC(=O)CC#N)C(=O)OC

Isomeric SMILES

CCCC1=CC(=C(S1)NC(=O)CC#N)C(=O)OC

InChI

InChI=1S/C12H14N2O3S/c1-3-4-8-7-9(12(16)17-2)11(18-8)14-10(15)5-6-13/h7H,3-5H2,1-2H3,(H,14,15)