2-[5-bromanyl-4-(4-chlorophenyl)sulfanyl-7-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-bromanyl-4-(4-chlorophenyl)sulfanyl-7-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]ethanoic acid Openeye Name: 2-[5-bromo-4-(4-chlorophenyl)sulfanyl-7-vinyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid CAS Name: 2-[5-bromo-4-[(4-chlorophenyl)thio]-7-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid IUPAC Name: 2-[5-bromo-4-(4-chlorophenyl)sulfanyl-7-ethenyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid Traditional Name: 2-[5-bromo-4-[(4-chlorophenyl)thio]-7-vinyl-2,3-dihydro-1H-pyrrol[1,2-a]indol-3-yl]acetic acid Formula: C21H17BrClNO2S MolecularWeight: 462.78718

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC2=C(C(=C1)Br)C(=C3N2CCC3CC(=O)O)SC4=CC=C(C=C4)Cl

Isomeric SMILES

C=CC1=CC2=C(C(=C1)Br)C(=C3N2CCC3CC(=O)O)SC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17BrClNO2S/c1-2-12-9-16(22)19-17(10-12)24-8-7-13(11-18(25)26)20(24)21(19)27-15-5-3-14(23)4-6-15/h2-6,9-10,13H,1,7-8,11H2,(H,25,26)