[2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] (2R)-oxolane-2-carboxylate

Systemtic Name: [2-[[4-(2,5-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] (2R)-oxolane-2-carboxylate Openeye Name: [2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate CAS Name: (2R)-2-oxolanecarboxylic acid [2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl] (2R)-oxolane-2-carboxylate Traditional Name: (2R)-tetrahydrofuran-2-carboxylic acid [2-[4-[(2,5-dimethylphenyl)thio]anilino]-2-keto-ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S/c1-14-5-6-15(2)19(12-14)27-17-9-7-16(8-10-17)22-20(23)13-26-21(24)18-4-3-11-25-18/h5-10,12,18H,3-4,11,13H2,1-2H3,(H,22,23)/t18-/m1/s1