[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 3-(2-ethoxyphenoxy)sulfonylbenzoate

Systemtic Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] 3-(2-ethoxyphenoxy)sulfonylbenzoate Openeye Name: [(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] 3-(2-ethoxyphenoxy)sulfonylbenzoate CAS Name: 3-(2-ethoxyphenoxy)sulfonylbenzoic acid [(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester IUPAC Name: [(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 3-(2-ethoxyphenoxy)sulfonylbenzoate Traditional Name: 3-(2-ethoxyphenoxy)sulfonylbenzoic acid [(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester Formula: C23H20N2O7S2 MolecularWeight: 500.5441

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)C(C#N)C3=NC(=CS3)C

Isomeric SMILES

CCOC1=CC=CC=C1OS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)[C@H](C#N)C3=NC(=CS3)C

InChI

InChI=1S/C23H20N2O7S2/c1-3-30-20-9-4-5-10-21(20)32-34(28,29)17-8-6-7-16(11-17)23(27)31-13-19(26)18(12-24)22-25-15(2)14-33-22/h4-11,14,18H,3,13H2,1-2H3/t18-/m0/s1