2-(7-fluoranyl-5-methylsulfonyl-4-pyrimidin-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)ethanoic acid

Systemtic Name: 2-(7-fluoranyl-5-methylsulfonyl-4-pyrimidin-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)ethanoic acid Openeye Name: 2-(7-fluoro-5-methylsulfonyl-4-pyrimidin-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetic acid CAS Name: 2-[7-fluoro-5-methylsulfonyl-4-(2-pyrimidinylthio)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid IUPAC Name: 2-(7-fluoro-5-methylsulfonyl-4-pyrimidin-2-ylsulfanyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl)acetic acid Traditional Name: 2-[7-fluoro-5-mesyl-4-(2-pyrimidylthio)-2,3-dihydro-1H-pyrrol[1,2-a]indol-3-yl]acetic acid Formula: C18H16FN3O4S2 MolecularWeight: 421.465743

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C(=CC(=C1)F)N3CCC(C3=C2SC4=NC=CC=N4)CC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=C2C(=CC(=C1)F)N3CCC(C3=C2SC4=NC=CC=N4)CC(=O)O

InChI

InChI=1S/C18H16FN3O4S2/c1-28(25,26)13-9-11(19)8-12-15(13)17(27-18-20-4-2-5-21-18)16-10(7-14(23)24)3-6-22(12)16/h2,4-5,8-10H,3,6-7H2,1H3,(H,23,24)