methyl (1S,5R)-3-(1-benzothiophen-2-yl)-8-pyrrolidin-1-ylcarbonyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate

Systemtic Name: methyl (1S,5R)-3-(1-benzothiophen-2-yl)-8-pyrrolidin-1-ylcarbonyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl (1S,5R)-3-(benzothiophen-2-yl)-8-(pyrrolidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: (1S,5R)-3-(1-benzothiophen-2-yl)-8-[oxo(1-pyrrolidinyl)methyl]-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester IUPAC Name: methyl (1S,5R)-3-(1-benzothiophen-2-yl)-8-(pyrrolidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: (1S,5R)-3-(benzothiophen-2-yl)-8-(pyrrolidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC2CCC1N2C(=O)N3CCCC3)C4=CC5=CC=CC=C5S4

Isomeric SMILES

COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)N3CCCC3)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C22H24N2O3S/c1-27-21(25)20-16(19-12-14-6-2-3-7-18(14)28-19)13-15-8-9-17(20)24(15)22(26)23-10-4-5-11-23/h2-3,6-7,12,15,17H,4-5,8-11,13H2,1H3/t15-,17+/m0/s1