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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC(=C(S1)N2CCOCC2)C3=CC=CC=C3

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=CC(=C(S1)N2CCOCC2)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c1-3-15(2)22-19(24)14-27-21(25)18-13-17(16-7-5-4-6-8-16)20(28-18)23-9-11-26-12-10-23/h4-8,13,15H,3,9-12,14H2,1-2H3,(H,22,24)