(2S)-2-(1-adamantylsulfanyl)-1-(2,3-dihydroindol-1-yl)propan-1-one

Systemtic Name: (2S)-2-(1-adamantylsulfanyl)-1-(2,3-dihydroindol-1-yl)propan-1-one Openeye Name: (2S)-2-(1-adamantylsulfanyl)-1-indolin-1-yl-propan-1-one CAS Name: (2S)-2-(1-adamantylthio)-1-(2,3-dihydroindol-1-yl)-1-propanone IUPAC Name: (2S)-2-(1-adamantylsulfanyl)-1-(2,3-dihydroindol-1-yl)propan-1-one Traditional Name: (2S)-2-(1-adamantylthio)-1-indolin-1-yl-propan-1-one Formula: C21H27NOS MolecularWeight: 341.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)SC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C21)SC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H27NOS/c1-14(20(23)22-7-6-18-4-2-3-5-19(18)22)24-21-11-15-8-16(12-21)10-17(9-15)13-21/h2-5,14-17H,6-13H2,1H3/t14-,15?,16?,17?,21?/m0/s1