(2S)-2-methyl-1-methylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2,3-dihydroindole-5-carboxamide

Systemtic Name: (2S)-2-methyl-1-methylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2,3-dihydroindole-5-carboxamide Openeye Name: (2S)-2-methyl-1-methylsulfonyl-N-[2-(2-thienylmethylsulfanyl)ethyl]indoline-5-carboxamide CAS Name: (2S)-2-methyl-1-methylsulfonyl-N-[2-(thiophen-2-ylmethylthio)ethyl]-2,3-dihydroindole-5-carboxamide IUPAC Name: (2S)-2-methyl-1-methylsulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]-2,3-dihydroindole-5-carboxamide Traditional Name: (2S)-1-mesyl-2-methyl-N-[2-(2-thenylthio)ethyl]indoline-5-carboxamide Formula: C18H22N2O3S3 MolecularWeight: 410.57388

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCCSCC3=CC=CS3

Isomeric SMILES

C[C@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C(=O)NCCSCC3=CC=CS3

InChI

InChI=1S/C18H22N2O3S3/c1-13-10-15-11-14(5-6-17(15)20(13)26(2,22)23)18(21)19-7-9-24-12-16-4-3-8-25-16/h3-6,8,11,13H,7,9-10,12H2,1-2H3,(H,19,21)/t13-/m0/s1