[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-(2,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-(2,5-dimethylanilino)-2-keto-ethyl] ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)COC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C18H19NO4S/c1-12-5-6-13(2)14(10-12)19-17(21)11-23-18(22)8-7-15(20)16-4-3-9-24-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,21)