O-[(4S,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-yl] imidazole-1-carbothioate

Systemtic Name: O-[(4S,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-yl] imidazole-1-carbothioate Openeye Name: O-[(4S,5R)-4-(benzyloxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl] imidazole-1-carbothioate CAS Name: 1-imidazolecarbothioic acid O-[(4S,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-yl] ester IUPAC Name: O-[(4S,5R)-2,2-dimethyl-4-(phenylmethoxymethyl)-1,3-dioxan-5-yl] imidazole-1-carbothioate Traditional Name: imidazole-1-carbothioic acid O-[(4S,5R)-4-(benzoxymethyl)-2,2-dimethyl-1,3-dioxan-5-yl] ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(C(O1)COCC2=CC=CC=C2)OC(=S)N3C=CN=C3)C

Isomeric SMILES

CC1(OC[C@H]([C@@H](O1)COCC2=CC=CC=C2)OC(=S)N3C=CN=C3)C

InChI

InChI=1S/C18H22N2O4S/c1-18(2)22-12-15(23-17(25)20-9-8-19-13-20)16(24-18)11-21-10-14-6-4-3-5-7-14/h3-9,13,15-16H,10-12H2,1-2H3/t15-,16+/m1/s1