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

Systemtic Name: methyl (1S,5R)-3-(1-benzothiophen-2-yl)-8-piperidin-1-ylcarbonyl-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Openeye Name: methyl (1S,5R)-3-(benzothiophen-2-yl)-8-(piperidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate CAS Name: (1S,5R)-3-(1-benzothiophen-2-yl)-8-[oxo(1-piperidinyl)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-(piperidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylate Traditional Name: (1S,5R)-3-(benzothiophen-2-yl)-8-(piperidine-1-carbonyl)-8-azabicyclo[3.2.1]oct-3-ene-4-carboxylic acid methyl ester Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC2CCC1N2C(=O)N3CCCCC3)C4=CC5=CC=CC=C5S4

Isomeric SMILES

COC(=O)C1=C(C[C@@H]2CC[C@H]1N2C(=O)N3CCCCC3)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C23H26N2O3S/c1-28-22(26)21-17(20-13-15-7-3-4-8-19(15)29-20)14-16-9-10-18(21)25(16)23(27)24-11-5-2-6-12-24/h3-4,7-8,13,16,18H,2,5-6,9-12,14H2,1H3/t16-,18+/m0/s1