[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 5-morpholin-4-yl-4-phenyl-thiophene-2-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 5-morpholino-4-phenyl-thiophene-2-carboxylate CAS Name: 5-(4-morpholinyl)-4-phenyl-2-thiophenecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate Traditional Name: 5-morpholino-4-phenyl-thiophene-2-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-16(2)8-9-23-20(25)15-28-22(26)19-14-18(17-6-4-3-5-7-17)21(29-19)24-10-12-27-13-11-24/h3-7,14,16H,8-13,15H2,1-2H3,(H,23,25)