[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxidanylidene-ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxo-ethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid [2-[2-(4-ethoxyphenoxy)ethylamino]-2-keto-ethyl] ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CS2

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CS2

InChI

InChI=1S/C22H28N2O6S/c1-4-28-16-7-9-17(10-8-16)29-12-11-23-19(25)14-30-22(27)20(15(2)3)24-21(26)18-6-5-13-31-18/h5-10,13,15,20H,4,11-12,14H2,1-3H3,(H,23,25)(H,24,26)