[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 5-morpholino-4-phenyl-thiophene-2-carboxylate CAS Name: 5-(4-morpholinyl)-4-phenyl-2-thiophenecarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate Traditional Name: 5-morpholino-4-phenyl-thiophene-2-carboxylic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=CC(=C(S1)N2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=CC(=C(S1)N2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-15(2)13-22-19(24)14-27-21(25)18-12-17(16-6-4-3-5-7-16)20(28-18)23-8-10-26-11-9-23/h3-7,12,15H,8-11,13-14H2,1-2H3,(H,22,24)