ethyl (4R,5S)-3-(4-ethylphenyl)carbonyl-5-methyl-5-pyridin-4-yl-2-sulfanylidene-1,3-oxazolidine-4-carboxylate

Systemtic Name: ethyl (4R,5S)-3-(4-ethylphenyl)carbonyl-5-methyl-5-pyridin-4-yl-2-sulfanylidene-1,3-oxazolidine-4-carboxylate Openeye Name: ethyl (4R,5S)-3-(4-ethylbenzoyl)-5-methyl-5-(4-pyridyl)-2-thioxo-oxazolidine-4-carboxylate CAS Name: (4R,5S)-3-[(4-ethylphenyl)-oxomethyl]-5-methyl-5-pyridin-4-yl-2-sulfanylidene-4-oxazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S)-3-(4-ethylbenzoyl)-5-methyl-5-pyridin-4-yl-2-sulfanylidene-1,3-oxazolidine-4-carboxylate Traditional Name: (4R,5S)-3-(4-ethylbenzoyl)-5-methyl-5-(4-pyridyl)-2-thioxo-oxazolidine-4-carboxylic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2C(C(OC2=S)(C)C3=CC=NC=C3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2[C@H]([C@](OC2=S)(C)C3=CC=NC=C3)C(=O)OCC

InChI

InChI=1S/C21H22N2O4S/c1-4-14-6-8-15(9-7-14)18(24)23-17(19(25)26-5-2)21(3,27-20(23)28)16-10-12-22-13-11-16/h6-13,17H,4-5H2,1-3H3/t17-,21-/m0/s1