2-(4-chloranyl-2-methyl-3-naphthalen-1-ylsulfanyl-pyrrolo[3,2-c]pyridin-1-yl)ethanoic acid

Systemtic Name: 2-(4-chloranyl-2-methyl-3-naphthalen-1-ylsulfanyl-pyrrolo[3,2-c]pyridin-1-yl)ethanoic acid Openeye Name: 2-[4-chloro-2-methyl-3-(1-naphthylsulfanyl)pyrrolo[3,2-c]pyridin-1-yl]acetic acid CAS Name: 2-[4-chloro-2-methyl-3-(1-naphthalenylthio)-1-pyrrolo[3,2-c]pyridinyl]acetic acid IUPAC Name: 2-(4-chloro-2-methyl-3-naphthalen-1-ylsulfanylpyrrolo[3,2-c]pyridin-1-yl)acetic acid Traditional Name: 2-[4-chloro-2-methyl-3-(1-naphthylthio)pyrrolo[3,2-c]pyridin-1-yl]acetic acid Formula: C20H15ClN2O2S MolecularWeight: 382.8633

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CN=C2Cl)SC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CN=C2Cl)SC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C20H15ClN2O2S/c1-12-19(26-16-8-4-6-13-5-2-3-7-14(13)16)18-15(9-10-22-20(18)21)23(12)11-17(24)25/h2-10H,11H2,1H3,(H,24,25)