[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-(2,6-dimethylanilino)-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-(2,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-(2,6-dimethylanilino)-2-keto-ethyl] ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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