ethyl 2-[2-(2-methylpropylamino)propanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-methylpropylamino)propanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(isobutylamino)propanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-methylpropylamino)-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-methylpropylamino)propanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(isobutylamino)propanoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3S/c1-5-25-20(24)16-11-17(15-9-7-6-8-10-15)26-19(16)22-18(23)14(4)21-12-13(2)3/h6-11,13-14,21H,5,12H2,1-4H3,(H,22,23)