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

Systemtic Name: 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[(2S)-2-methyl-1-methylsulfonyl-indolin-5-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[(2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[(2S)-1-mesyl-2-methyl-indolin-5-yl]-2-(2-pyrimidylthio)ethanone Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C16H17N3O3S2/c1-11-8-13-9-12(4-5-14(13)19(11)24(2,21)22)15(20)10-23-16-17-6-3-7-18-16/h3-7,9,11H,8,10H2,1-2H3/t11-/m0/s1