propan-2-yl 4-cyano-5-(decanoylamino)-3-methyl-thiophene-2-carboxylate

Systemtic Name: propan-2-yl 4-cyano-5-(decanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-5-(decanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-(1-oxodecylamino)-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-5-(decanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 5-(caprylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3S/c1-5-6-7-8-9-10-11-12-17(23)22-19-16(13-21)15(4)18(26-19)20(24)25-14(2)3/h14H,5-12H2,1-4H3,(H,22,23)