[2-[[4-(3,4-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] (2R)-oxolane-2-carboxylate

Systemtic Name: [2-[[4-(3,4-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] (2R)-oxolane-2-carboxylate Openeye Name: [2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate CAS Name: (2R)-2-oxolanecarboxylic acid [2-[4-[(3,4-dimethylphenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl] (2R)-oxolane-2-carboxylate Traditional Name: (2R)-tetrahydrofuran-2-carboxylic acid [2-[4-[(3,4-dimethylphenyl)thio]anilino]-2-keto-ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)COC(=O)C3CCCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)COC(=O)[C@H]3CCCO3)C

InChI

InChI=1S/C21H23NO4S/c1-14-5-8-18(12-15(14)2)27-17-9-6-16(7-10-17)22-20(23)13-26-21(24)19-4-3-11-25-19/h5-10,12,19H,3-4,11,13H2,1-2H3,(H,22,23)/t19-/m1/s1