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

Systemtic Name: propan-2-yl 4-cyano-5-(2-ethylhexanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-5-(2-ethylhexanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[(2-ethyl-1-oxohexyl)amino]-3-methyl-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-5-(2-ethylhexanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(2-ethylhexanoylamino)-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OC(C)C)C)C#N

Isomeric SMILES

CCCCC(CC)C(=O)NC1=C(C(=C(S1)C(=O)OC(C)C)C)C#N

InChI

InChI=1S/C18H26N2O3S/c1-6-8-9-13(7-2)16(21)20-17-14(10-19)12(5)15(24-17)18(22)23-11(3)4/h11,13H,6-9H2,1-5H3,(H,20,21)