methyl (3aR,4S,6R,6aR)-4-isothiocyanato-2,2-dimethyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carboxylate

Systemtic Name: methyl (3aR,4S,6R,6aR)-4-isothiocyanato-2,2-dimethyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carboxylate Openeye Name: methyl (3aR,4S,6R,6aR)-6-(benzyloxymethyl)-4-isothiocyanato-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carboxylate CAS Name: (3aR,4S,6R,6aR)-4-isothiocyanato-2,2-dimethyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carboxylic acid methyl ester IUPAC Name: methyl (3aR,4S,6R,6aR)-4-isothiocyanato-2,2-dimethyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carboxylate Traditional Name: (3aR,4S,6R,6aR)-6-(benzoxymethyl)-4-isothiocyanato-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carboxylic acid methyl ester Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2C(OC(C2O1)(C(=O)OC)N=C=S)COCC3=CC=CC=C3)C

Isomeric SMILES

CC1(O[C@@H]2[C@H](O[C@@]([C@@H]2O1)(C(=O)OC)N=C=S)COCC3=CC=CC=C3)C

InChI

InChI=1S/C18H21NO6S/c1-17(2)24-14-13(10-22-9-12-7-5-4-6-8-12)23-18(19-11-26,15(14)25-17)16(20)21-3/h4-8,13-15H,9-10H2,1-3H3/t13-,14-,15-,18+/m1/s1