(2-sulfanylidenepyridin-1-yl) (4R,5S)-5-[(3-cyanoindol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate

Systemtic Name: (2-sulfanylidenepyridin-1-yl) (4R,5S)-5-[(3-cyanoindol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate Openeye Name: (2-thioxo-1-pyridyl) (4R,5S)-5-[(3-cyanoindol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate CAS Name: (4R,5S)-5-[(3-cyano-1-indolyl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid (2-sulfanylidene-1-pyridinyl) ester IUPAC Name: (2-sulfanylidenepyridin-1-yl) (4R,5S)-5-[(3-cyanoindol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate Traditional Name: (4R,5S)-5-[(3-cyanoindol-1-yl)methyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid (2-thioxo-1-pyridyl) ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC(C(O1)C(=O)ON2C=CC=CC2=S)CN3C=C(C4=CC=CC=C43)C#N)C

Isomeric SMILES

CC1(O[C@H]([C@@H](O1)C(=O)ON2C=CC=CC2=S)CN3C=C(C4=CC=CC=C43)C#N)C

InChI

InChI=1S/C21H19N3O4S/c1-21(2)26-17(13-23-12-14(11-22)15-7-3-4-8-16(15)23)19(27-21)20(25)28-24-10-6-5-9-18(24)29/h3-10,12,17,19H,13H2,1-2H3/t17-,19+/m0/s1