(3S)-N-(2-pyrimidin-2-ylsulfanylethanoyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-(2-pyrimidin-2-ylsulfanylethanoyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-(2-pyrimidin-2-ylsulfanylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[1-oxo-2-(2-pyrimidinylthio)ethyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-(2-pyrimidin-2-ylsulfanylacetyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[2-(2-pyrimidylthio)acetyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NC(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)NC(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C15H13N3O4S/c19-13(9-23-15-16-6-3-7-17-15)18-14(20)12-8-21-10-4-1-2-5-11(10)22-12/h1-7,12H,8-9H2,(H,18,19,20)/t12-/m0/s1