ethyl 2-[(2,5-dimethylfuran-3-yl)carbonylamino]-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2,5-dimethylfuran-3-yl)carbonylamino]-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-5-(1,3,3-trimethylbutyl)thiophene-3-carboxylate CAS Name: 2-[[(2,5-dimethyl-3-furanyl)-oxomethyl]amino]-5-(4,4-dimethylpentan-2-yl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-5-(4,4-dimethylpentan-2-yl)thiophene-3-carboxylate Traditional Name: 2-[(2,5-dimethyl-3-furoyl)amino]-5-(1,3,3-trimethylbutyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)CC(C)(C)C)NC(=O)C2=C(OC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C(C)CC(C)(C)C)NC(=O)C2=C(OC(=C2)C)C

InChI

InChI=1S/C21H29NO4S/c1-8-25-20(24)16-10-17(12(2)11-21(5,6)7)27-19(16)22-18(23)15-9-13(3)26-14(15)4/h9-10,12H,8,11H2,1-7H3,(H,22,23)