ethyl (2R,3S)-1-(4-methylphenyl)sulfonyl-4-oxidanylidene-3-thiophen-2-yl-azetidine-2-carboxylate

Systemtic Name: ethyl (2R,3S)-1-(4-methylphenyl)sulfonyl-4-oxidanylidene-3-thiophen-2-yl-azetidine-2-carboxylate Openeye Name: ethyl (2R,3S)-4-oxo-1-(p-tolylsulfonyl)-3-(2-thienyl)azetidine-2-carboxylate CAS Name: (2R,3S)-1-(4-methylphenyl)sulfonyl-4-oxo-3-thiophen-2-yl-2-azetidinecarboxylic acid ethyl ester IUPAC Name: ethyl (2R,3S)-1-(4-methylphenyl)sulfonyl-4-oxo-3-thiophen-2-ylazetidine-2-carboxylate Traditional Name: (2R,3S)-4-keto-3-(2-thienyl)-1-tosyl-azetidine-2-carboxylic acid ethyl ester Formula: C17H17NO5S2 MolecularWeight: 379.45058

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=O)N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](C(=O)N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CS3

InChI

InChI=1S/C17H17NO5S2/c1-3-23-17(20)15-14(13-5-4-10-24-13)16(19)18(15)25(21,22)12-8-6-11(2)7-9-12/h4-10,14-15H,3H2,1-2H3/t14-,15+/m0/s1