[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl] ester Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)COC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C19H21NO5S/c1-14-4-2-5-15(12-14)24-10-9-20-18(22)13-25-19(23)8-7-16(21)17-6-3-11-26-17/h2-6,11-12H,7-10,13H2,1H3,(H,20,22)