[(3S,5R)-5-methyl-2-oxidanylidene-oxolan-3-yl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [(3S,5R)-5-methyl-2-oxidanylidene-oxolan-3-yl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(3S,5R)-5-methyl-2-oxo-tetrahydrofuran-3-yl] 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzoic acid [(3S,5R)-5-methyl-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S,5R)-5-methyl-2-oxooxolan-3-yl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]benzoic acid [(3S,5R)-2-keto-5-methyl-tetrahydrofuran-3-yl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)OC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

C[C@@H]1C[C@@H](C(=O)O1)OC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C21H21NO5S/c1-13-7-9-15(10-8-13)22-19(23)12-28-18-6-4-3-5-16(18)20(24)27-17-11-14(2)26-21(17)25/h3-10,14,17H,11-12H2,1-2H3,(H,22,23)/t14-,17+/m1/s1