(2S)-2-acetamido-N-[(7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-acetamido-N-[(7-chloranyl-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-acetamido-N-[(7-chloro-5-pyrimidin-5-yl-2,3-dihydrobenzofuran-2-yl)methyl]-4-methylsulfanyl-butanamide CAS Name: (2S)-2-acetamido-N-[[7-chloro-5-(5-pyrimidinyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-(methylthio)butanamide IUPAC Name: (2S)-2-acetamido-N-[(7-chloro-5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylsulfanylbutanamide Traditional Name: (2S)-2-acetamido-N-[[7-chloro-5-(5-pyrimidyl)coumaran-2-yl]methyl]-4-(methylthio)butyramide Formula: C20H23ClN4O3S MolecularWeight: 434.93962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=CN=CN=C3)Cl

Isomeric SMILES

CC(=O)N[C@@H](CCSC)C(=O)NCC1CC2=C(O1)C(=CC(=C2)C3=CN=CN=C3)Cl

InChI

InChI=1S/C20H23ClN4O3S/c1-12(26)25-18(3-4-29-2)20(27)24-10-16-6-14-5-13(7-17(21)19(14)28-16)15-8-22-11-23-9-15/h5,7-9,11,16,18H,3-4,6,10H2,1-2H3,(H,24,27)(H,25,26)/t16?,18-/m0/s1