methyl (1R,2R,3S,4S)-3-benzamido-2-thiophen-2-yl-bicyclo[2.2.1]hept-5-ene-3-carboxylate

Systemtic Name: methyl (1R,2R,3S,4S)-3-benzamido-2-thiophen-2-yl-bicyclo[2.2.1]hept-5-ene-3-carboxylate Openeye Name: methyl (1R,2R,3S,4S)-3-benzamido-2-(2-thienyl)bicyclo[2.2.1]hept-5-ene-3-carboxylate CAS Name: (1R,2R,3S,4S)-3-benzamido-2-thiophen-2-yl-3-bicyclo[2.2.1]hept-5-enecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R,3S,4S)-3-benzamido-2-thiophen-2-ylbicyclo[2.2.1]hept-5-ene-3-carboxylate Traditional Name: (1R,2R,3S,4S)-3-benzamido-2-(2-thienyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid methyl ester Formula: C20H19NO3S MolecularWeight: 353.43476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C2CC(C1C3=CC=CS3)C=C2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@]1([C@H]2C[C@@H]([C@H]1C3=CC=CS3)C=C2)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19NO3S/c1-24-19(23)20(21-18(22)13-6-3-2-4-7-13)15-10-9-14(12-15)17(20)16-8-5-11-25-16/h2-11,14-15,17H,12H2,1H3,(H,21,22)/t14-,15+,17-,20-/m0/s1