[(2S,4S)-4-(1-benzothiophen-3-yl)-2-(4-oxidanylbutoxy)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(2S,4S)-4-(1-benzothiophen-3-yl)-2-(4-oxidanylbutoxy)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(2S,4S)-4-(benzothiophen-3-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-yl-methanone CAS Name: [(2S,4S)-4-(1-benzothiophen-3-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [(2S,4S)-4-(1-benzothiophen-3-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(2S,4S)-4-(benzothiophen-3-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-yl]-pyrrolidino-methanone Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(CC(O2)OCCCCO)C3=CSC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)C(=O)C2=C[C@H](C[C@H](O2)OCCCCO)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C22H27NO4S/c24-11-5-6-12-26-21-14-16(18-15-28-20-8-2-1-7-17(18)20)13-19(27-21)22(25)23-9-3-4-10-23/h1-2,7-8,13,15-16,21,24H,3-6,9-12,14H2/t16-,21+/m1/s1