[(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethyl-5-methyl-thiophene-2-carboxylate

Systemtic Name: [(2R)-1-[(4-morpholin-4-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethyl-5-methyl-thiophene-2-carboxylate Openeye Name: [(1R)-1-methyl-2-(4-morpholinoanilino)-2-oxo-ethyl] 4-ethyl-5-methyl-thiophene-2-carboxylate CAS Name: 4-ethyl-5-methyl-2-thiophenecarboxylic acid [(2R)-1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 4-ethyl-5-methylthiophene-2-carboxylate Traditional Name: 4-ethyl-5-methyl-thiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(4-morpholinoanilino)ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1)C(=O)OC(C)C(=O)NC2=CC=C(C=C2)N3CCOCC3)C

Isomeric SMILES

CCC1=C(SC(=C1)C(=O)O[C@H](C)C(=O)NC2=CC=C(C=C2)N3CCOCC3)C

InChI

InChI=1S/C21H26N2O4S/c1-4-16-13-19(28-15(16)3)21(25)27-14(2)20(24)22-17-5-7-18(8-6-17)23-9-11-26-12-10-23/h5-8,13-14H,4,9-12H2,1-3H3,(H,22,24)/t14-/m1/s1