N-[[(2S)-7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-ethanoyl-thiophene-3-carboxamide

Systemtic Name: N-[[(2S)-7-chloranyl-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-ethanoyl-thiophene-3-carboxamide Openeye Name: 5-acetyl-N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydrobenzofuran-2-yl]methyl]thiophene-3-carboxamide CAS Name: 5-acetyl-N-[[(2S)-7-chloro-5-[2-(methylthio)-4-pyrimidinyl]-2,3-dihydrobenzofuran-2-yl]methyl]-3-thiophenecarboxamide IUPAC Name: 5-acetyl-N-[[(2S)-7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]thiophene-3-carboxamide Traditional Name: 5-acetyl-N-[[(2S)-7-chloro-5-[2-(methylthio)pyrimidin-4-yl]coumaran-2-yl]methyl]thiophene-3-carboxamide Formula: C21H18ClN3O3S2 MolecularWeight: 459.96892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=NC(=NC=C4)SC)Cl

Isomeric SMILES

CC(=O)C1=CC(=CS1)C(=O)NC[C@@H]2CC3=C(O2)C(=CC(=C3)C4=NC(=NC=C4)SC)Cl

InChI

InChI=1S/C21H18ClN3O3S2/c1-11(26)18-8-14(10-30-18)20(27)24-9-15-6-13-5-12(7-16(22)19(13)28-15)17-3-4-23-21(25-17)29-2/h3-5,7-8,10,15H,6,9H2,1-2H3,(H,24,27)/t15-/m0/s1