5-chloranyl-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C17H18ClN3O3S/c1-4-23-14-6-10-5-9(2)24-13(10)7-12(14)20-16(22)15-11(18)8-19-17(21-15)25-3/h6-9H,4-5H2,1-3H3,(H,20,22)/t9-/m0/s1