carbonic acid; 2-(4-chloranyl-5-cyclopropylsulfanyl-2-fluoranyl-phenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione

Systemtic Name: carbonic acid; 2-(4-chloranyl-5-cyclopropylsulfanyl-2-fluoranyl-phenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione Openeye Name: carbonic acid; 2-(4-chloro-5-cyclopropylsulfanyl-2-fluoro-phenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione CAS Name: carbonic acid; 2-[4-chloro-5-(cyclopropylthio)-2-fluorophenyl]-4,5,6,7-tetrahydroisoindole-1,3-dione IUPAC Name: carbonic acid; 2-(4-chloro-5-cyclopropylsulfanyl-2-fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione Traditional Name: carbonic acid; 2-[4-chloro-5-(cyclopropylthio)-2-fluoro-phenyl]-4,5,6,7-tetrahydroisoindole-1,3-quinone Formula: C18H17ClFNO5S MolecularWeight: 413.847683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3F)Cl)SC4CC4.C(=O)(O)O

Isomeric SMILES

C1CCC2=C(C1)C(=O)N(C2=O)C3=CC(=C(C=C3F)Cl)SC4CC4.C(=O)(O)O

InChI

InChI=1S/C17H15ClFNO2S.CH2O3/c18-12-7-13(19)14(8-15(12)23-9-5-6-9)20-16(21)10-3-1-2-4-11(10)17(20)22;2-1(3)4/h7-9H,1-6H2;(H2,2,3,4)