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

Systemtic Name: propan-2-yl 4-cyano-3-methyl-5-(octanoylamino)thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-3-methyl-5-(octanoylamino)thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-(1-oxooctylamino)-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-3-methyl-5-(octanoylamino)thiophene-2-carboxylate Traditional Name: 5-(caprylylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3S/c1-5-6-7-8-9-10-15(21)20-17-14(11-19)13(4)16(24-17)18(22)23-12(2)3/h12H,5-10H2,1-4H3,(H,20,21)