2-[(4S)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]ethanoate

Systemtic Name: 2-[(4S)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]ethanoate Openeye Name: 2-[(4S)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl]acetate CAS Name: 2-[(4S)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinyl]acetate IUPAC Name: 2-[(4S)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetate Traditional Name: 2-[(4S)-3-homoveratryl-5-keto-1-phenyl-2-thioxo-imidazolidin-4-yl]acetate Formula: C21H21N2O5S- MolecularWeight: 413.46684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(C(=O)N(C2=S)C3=CC=CC=C3)CC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2[C@H](C(=O)N(C2=S)C3=CC=CC=C3)CC(=O)[O-])OC

InChI

InChI=1S/C21H22N2O5S/c1-27-17-9-8-14(12-18(17)28-2)10-11-22-16(13-19(24)25)20(26)23(21(22)29)15-6-4-3-5-7-15/h3-9,12,16H,10-11,13H2,1-2H3,(H,24,25)/p-1/t16-/m0/s1