2-[(3-ethanoyl-2-oxidanylidene-7-phenyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)sulfanyl]ethyl ethanoate

Systemtic Name: 2-[(3-ethanoyl-2-oxidanylidene-7-phenyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)sulfanyl]ethyl ethanoate Openeye Name: 2-[(3-acetyl-2-oxo-7-phenyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)sulfanyl]ethyl acetate CAS Name: acetic acid 2-[(3-acetyl-2-oxo-7-phenyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)thio]ethyl ester IUPAC Name: 2-[(3-acetyl-2-oxo-7-phenyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)sulfanyl]ethyl acetate Traditional Name: acetic acid 2-[(3-acetyl-2-keto-7-phenyl-1,6-dihydropyrrolo[2,3-b]pyridin-3-yl)thio]ethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(C2=C(NC1=O)N(CC=C2)C3=CC=CC=C3)SCCOC(=O)C

Isomeric SMILES

CC(=O)C1(C2=C(NC1=O)N(CC=C2)C3=CC=CC=C3)SCCOC(=O)C

InChI

InChI=1S/C19H20N2O4S/c1-13(22)19(26-12-11-25-14(2)23)16-9-6-10-21(17(16)20-18(19)24)15-7-4-3-5-8-15/h3-9H,10-12H2,1-2H3,(H,20,24)