4-[(2S)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[(2S)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[(2S)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanoyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[(2S)-2-(3-imidazo[1,5-a]pyridinylthio)-1-oxopropyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[(2S)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[(2S)-2-(imidazo[1,5-a]pyridin-3-ylthio)propanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SC3=NC=C4N3C=CC=C4

Isomeric SMILES

C[C@@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)SC3=NC=C4N3C=CC=C4

InChI

InChI=1S/C20H20N4O2S/c1-13(27-19-21-12-14-8-6-7-11-23(14)19)17(25)24-16-10-5-4-9-15(16)22-18(26)20(24,2)3/h4-13H,1-3H3,(H,22,26)/t13-/m0/s1