methyl (2R,3R)-2-(2-cyanoethyl)-3-oxidanyl-3-thiophen-2-yl-1H-indene-2-carboxylate

Systemtic Name: methyl (2R,3R)-2-(2-cyanoethyl)-3-oxidanyl-3-thiophen-2-yl-1H-indene-2-carboxylate Openeye Name: methyl (1R,2R)-2-(2-cyanoethyl)-1-hydroxy-1-(2-thienyl)indane-2-carboxylate CAS Name: (2R,3R)-2-(2-cyanoethyl)-3-hydroxy-3-thiophen-2-yl-1H-indene-2-carboxylic acid methyl ester IUPAC Name: methyl (2R,3R)-2-(2-cyanoethyl)-3-hydroxy-3-thiophen-2-yl-1H-indene-2-carboxylate Traditional Name: (1R,2R)-2-(2-cyanoethyl)-1-hydroxy-1-(2-thienyl)indane-2-carboxylic acid methyl ester Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2=CC=CC=C2C1(C3=CC=CS3)O)CCC#N

Isomeric SMILES

COC(=O)[C@@]1(CC2=CC=CC=C2[C@@]1(C3=CC=CS3)O)CCC#N

InChI

InChI=1S/C18H17NO3S/c1-22-16(20)17(9-5-10-19)12-13-6-2-3-7-14(13)18(17,21)15-8-4-11-23-15/h2-4,6-8,11,21H,5,9,12H2,1H3/t17-,18-/m0/s1