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

Systemtic Name: propan-2-yl 4-cyano-5-(hexanoylamino)-3-methyl-thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-5-(hexanoylamino)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-(1-oxohexylamino)-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-5-(hexanoylamino)-3-methylthiophene-2-carboxylate Traditional Name: 5-(caproylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid isopropyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-5-6-7-8-13(19)18-15-12(9-17)11(4)14(22-15)16(20)21-10(2)3/h10H,5-8H2,1-4H3,(H,18,19)