N-[2-[2-(2-methoxyphenyl)-1-methyl-5-prop-2-ynylsulfanyl-pyrrolo[2,3-b]pyridin-3-yl]ethyl]ethanamide

Systemtic Name: N-[2-[2-(2-methoxyphenyl)-1-methyl-5-prop-2-ynylsulfanyl-pyrrolo[2,3-b]pyridin-3-yl]ethyl]ethanamide Openeye Name: N-[2-[2-(2-methoxyphenyl)-1-methyl-5-prop-2-ynylsulfanyl-pyrrolo[2,3-b]pyridin-3-yl]ethyl]acetamide CAS Name: N-[2-[2-(2-methoxyphenyl)-1-methyl-5-(prop-2-ynylthio)-3-pyrrolo[2,3-b]pyridinyl]ethyl]acetamide IUPAC Name: N-[2-[2-(2-methoxyphenyl)-1-methyl-5-prop-2-ynylsulfanylpyrrolo[2,3-b]pyridin-3-yl]ethyl]acetamide Traditional Name: N-[2-[2-(2-methoxyphenyl)-1-methyl-5-(propargylthio)pyrrolo[2,3-b]pyridin-3-yl]ethyl]acetamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=C(N(C2=NC=C(C=C12)SCC#C)C)C3=CC=CC=C3OC

Isomeric SMILES

CC(=O)NCCC1=C(N(C2=NC=C(C=C12)SCC#C)C)C3=CC=CC=C3OC

InChI

InChI=1S/C22H23N3O2S/c1-5-12-28-16-13-19-17(10-11-23-15(2)26)21(25(3)22(19)24-14-16)18-8-6-7-9-20(18)27-4/h1,6-9,13-14H,10-12H2,2-4H3,(H,23,26)