1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[(2S)-2-methyl-1-methylsulfonyl-indolin-5-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[(2S)-1-mesyl-2-methyl-indolin-5-yl]-2-(quinazolin-4-ylthio)ethanone Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C20H19N3O3S2/c1-13-9-15-10-14(7-8-18(15)23(13)28(2,25)26)19(24)11-27-20-16-5-3-4-6-17(16)21-12-22-20/h3-8,10,12-13H,9,11H2,1-2H3/t13-/m0/s1