ethyl 2-[(8R,8aR)-8-methyl-3-oxidanylidene-8-phenyl-5,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazin-7-ium-7-yl]ethanoate

Systemtic Name: ethyl 2-[(8R,8aR)-8-methyl-3-oxidanylidene-8-phenyl-5,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazin-7-ium-7-yl]ethanoate Openeye Name: ethyl 2-[(8R,8aR)-8-methyl-3-oxo-8-phenyl-5,6,7,8a-tetrahydrothiazolo[3,2-a]pyrazin-7-ium-7-yl]acetate CAS Name: 2-[(8R,8aR)-8-methyl-3-oxo-8-phenyl-5,6,7,8a-tetrahydrothiazolo[3,2-a]pyrazin-7-ium-7-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(8R,8aR)-8-methyl-3-oxo-8-phenyl-5,6,7,8a-tetrahydro-[1,3]thiazolo[3,2-a]pyrazin-7-ium-7-yl]acetate Traditional Name: 2-[(8R,8aR)-3-keto-8-methyl-8-phenyl-5,6,7,8a-tetrahydrothiazolo[3,2-a]pyrazin-7-ium-7-yl]acetic acid ethyl ester Formula: C17H23N2O3S+ MolecularWeight: 335.44112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCN2C(C1(C)C3=CC=CC=C3)SCC2=O

Isomeric SMILES

CCOC(=O)C[NH+]1CCN2[C@@H]([C@@]1(C)C3=CC=CC=C3)SCC2=O

InChI

InChI=1S/C17H22N2O3S/c1-3-22-15(21)11-18-9-10-19-14(20)12-23-16(19)17(18,2)13-7-5-4-6-8-13/h4-8,16H,3,9-12H2,1-2H3/p+1/t16-,17-/m1/s1