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

Systemtic Name: propan-2-yl 5-(diethylcarbamoyl)-2-(hexanoylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 5-(diethylcarbamoyl)-2-(hexanoylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-(1-oxohexylamino)-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(diethylcarbamoyl)-2-(hexanoylamino)-4-methylthiophene-3-carboxylate Traditional Name: 2-(caproylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C20H32N2O4S MolecularWeight: 396.54408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32N2O4S/c1-7-10-11-12-15(23)21-18-16(20(25)26-13(4)5)14(6)17(27-18)19(24)22(8-2)9-3/h13H,7-12H2,1-6H3,(H,21,23)