[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-[(S)-ethylsulfinyl]benzoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-[(S)-ethylsulfinyl]benzoate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] 2-[(S)-ethylsulfinyl]benzoate CAS Name: 2-[(S)-ethylsulfinyl]benzoic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate Traditional Name: 2-[(S)-ethylsulfinyl]benzoic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2S(=O)CC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C2=CC=CC=C2[S@@](=O)CC)OCC

InChI

InChI=1S/C21H25NO6S/c1-4-26-17-12-11-15(13-18(17)27-5-2)22-20(23)14-28-21(24)16-9-7-8-10-19(16)29(25)6-3/h7-13H,4-6,14H2,1-3H3,(H,22,23)/t29-/m0/s1