methyl 4-cyano-3-methyl-5-(octanoylamino)thiophene-2-carboxylate

Systemtic Name: methyl 4-cyano-3-methyl-5-(octanoylamino)thiophene-2-carboxylate Openeye Name: methyl 4-cyano-3-methyl-5-(octanoylamino)thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-(1-oxooctylamino)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-cyano-3-methyl-5-(octanoylamino)thiophene-2-carboxylate Traditional Name: 5-(caprylylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=C(C(=C(S1)C(=O)OC)C)C#N

Isomeric SMILES

CCCCCCCC(=O)NC1=C(C(=C(S1)C(=O)OC)C)C#N

InChI

InChI=1S/C16H22N2O3S/c1-4-5-6-7-8-9-13(19)18-15-12(10-17)11(2)14(22-15)16(20)21-3/h4-9H2,1-3H3,(H,18,19)