S-[3-(2-acetamidoethyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl] cyclopentanecarbothioate

Systemtic Name: S-[3-(2-acetamidoethyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl] cyclopentanecarbothioate Openeye Name: S-[3-(2-acetamidoethyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl] cyclopentanecarbothioate CAS Name: cyclopentanecarbothioic acid S-[3-(2-acetamidoethyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl] ester IUPAC Name: S-[3-(2-acetamidoethyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl] cyclopentanecarbothioate Traditional Name: cyclopentanecarbothioic acid S-[3-(2-acetamidoethyl)-2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl] ester Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=C(NC2=NC=C(C=C12)SC(=O)C3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCC1=C(NC2=NC=C(C=C12)SC(=O)C3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O2S/c1-15(27)24-12-11-19-20-13-18(29-23(28)17-9-5-6-10-17)14-25-22(20)26-21(19)16-7-3-2-4-8-16/h2-4,7-8,13-14,17H,5-6,9-12H2,1H3,(H,24,27)(H,25,26)