ethyl (2R,4R,5S)-4-(phenylmethyl)-2,5-dithiophen-2-yl-1,3-dioxolane-4-carboxylate

Systemtic Name: ethyl (2R,4R,5S)-4-(phenylmethyl)-2,5-dithiophen-2-yl-1,3-dioxolane-4-carboxylate Openeye Name: ethyl (2R,4R,5S)-4-benzyl-2,5-bis(2-thienyl)-1,3-dioxolane-4-carboxylate CAS Name: (2R,4R,5S)-4-(phenylmethyl)-2,5-dithiophen-2-yl-1,3-dioxolane-4-carboxylic acid ethyl ester IUPAC Name: ethyl (2R,4R,5S)-4-benzyl-2,5-dithiophen-2-yl-1,3-dioxolane-4-carboxylate Traditional Name: (2R,4R,5S)-4-benzyl-2,5-bis(2-thienyl)-1,3-dioxolane-4-carboxylic acid ethyl ester Formula: C21H20O4S2 MolecularWeight: 400.5111

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(OC(O1)C2=CC=CS2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@]1([C@H](O[C@H](O1)C2=CC=CS2)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H20O4S2/c1-2-23-20(22)21(14-15-8-4-3-5-9-15)18(16-10-6-12-26-16)24-19(25-21)17-11-7-13-27-17/h3-13,18-19H,2,14H2,1H3/t18-,19-,21-/m1/s1