O-[bis[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]methyl] imidazole-1-carbothioate

Systemtic Name: O-[bis[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]methyl] imidazole-1-carbothioate Openeye Name: O-[bis[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]methyl] imidazole-1-carbothioate CAS Name: 1-imidazolecarbothioic acid O-[bis[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]methyl] ester IUPAC Name: O-[bis[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]methyl] imidazole-1-carbothioate Traditional Name: imidazole-1-carbothioic acid O-[bis[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]methyl] ester Formula: C19H30N2O5S MolecularWeight: 398.5169

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(OCC(O1)C(C2COC(O2)(CC)CC)OC(=S)N3C=CN=C3)CC

Isomeric SMILES

CCC1(OC[C@H](O1)C([C@@H]2COC(O2)(CC)CC)OC(=S)N3C=CN=C3)CC

InChI

InChI=1S/C19H30N2O5S/c1-5-18(6-2)22-11-14(25-18)16(24-17(27)21-10-9-20-13-21)15-12-23-19(7-3,8-4)26-15/h9-10,13-16H,5-8,11-12H2,1-4H3/t14-,15-/m0/s1