[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1-phenylsulfanylcyclopropyl)methanone

Systemtic Name: [(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1-phenylsulfanylcyclopropyl)methanone Openeye Name: [(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1-phenylsulfanylcyclopropyl)methanone CAS Name: [(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[1-(phenylthio)cyclopropyl]methanone IUPAC Name: [(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1-phenylsulfanylcyclopropyl)methanone Traditional Name: [(3S)-3-methylol-3,4-dihydro-1H-isoquinolin-2-yl]-[1-(phenylthio)cyclopropyl]methanone Formula: C20H21NO2S MolecularWeight: 339.45124

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)N2CC3=CC=CC=C3CC2CO)SC4=CC=CC=C4

Isomeric SMILES

C1CC1(C(=O)N2CC3=CC=CC=C3C[C@H]2CO)SC4=CC=CC=C4

InChI

InChI=1S/C20H21NO2S/c22-14-17-12-15-6-4-5-7-16(15)13-21(17)19(23)20(10-11-20)24-18-8-2-1-3-9-18/h1-9,17,22H,10-14H2/t17-/m0/s1