ethyl 5-[(2R,3R,4S)-4-isothiocyanato-3-phenylmethoxy-oxolan-2-yl]-2-methyl-furan-3-carboxylate

Systemtic Name: ethyl 5-[(2R,3R,4S)-4-isothiocyanato-3-phenylmethoxy-oxolan-2-yl]-2-methyl-furan-3-carboxylate Openeye Name: ethyl 5-[(2R,3R,4S)-3-benzyloxy-4-isothiocyanato-tetrahydrofuran-2-yl]-2-methyl-furan-3-carboxylate CAS Name: 5-[(2R,3R,4S)-4-isothiocyanato-3-phenylmethoxy-2-oxolanyl]-2-methyl-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2R,3R,4S)-4-isothiocyanato-3-phenylmethoxyoxolan-2-yl]-2-methylfuran-3-carboxylate Traditional Name: 5-[(2R,3R,4S)-3-benzoxy-4-isothiocyanato-tetrahydrofuran-2-yl]-2-methyl-furan-3-carboxylic acid ethyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1)C2C(C(CO2)N=C=S)OCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1)[C@H]2[C@@H]([C@H](CO2)N=C=S)OCC3=CC=CC=C3)C

InChI

InChI=1S/C20H21NO5S/c1-3-23-20(22)15-9-17(26-13(15)2)19-18(16(11-25-19)21-12-27)24-10-14-7-5-4-6-8-14/h4-9,16,18-19H,3,10-11H2,1-2H3/t16-,18+,19-/m0/s1