[2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [2-keto-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)C

InChI

InChI=1S/C21H25NO4S/c1-3-7-17(16-8-5-4-6-9-16)22-20(24)14-26-21(25)13-11-18(23)19-12-10-15(2)27-19/h4-6,8-10,12,17H,3,7,11,13-14H2,1-2H3,(H,22,24)/t17-/m1/s1