ethyl 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-pyrrolo[3,2-b]pyridin-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-pyrrolo[3,2-b]pyridin-1-yl]ethanoate Openeye Name: ethyl 2-[3-(4-chlorophenyl)sulfanyl-2-methyl-pyrrolo[3,2-b]pyridin-1-yl]acetate CAS Name: 2-[3-[(4-chlorophenyl)thio]-2-methyl-1-pyrrolo[3,2-b]pyridinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-chlorophenyl)sulfanyl-2-methylpyrrolo[3,2-b]pyridin-1-yl]acetate Traditional Name: 2-[3-[(4-chlorophenyl)thio]-2-methyl-pyrrolo[3,2-b]pyridin-1-yl]acetic acid ethyl ester Formula: C18H17ClN2O2S MolecularWeight: 360.85778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C2=C1C=CC=N2)SC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CCOC(=O)CN1C(=C(C2=C1C=CC=N2)SC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C18H17ClN2O2S/c1-3-23-16(22)11-21-12(2)18(17-15(21)5-4-10-20-17)24-14-8-6-13(19)7-9-14/h4-10H,3,11H2,1-2H3