(2S)-N-methyl-4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-N-methyl-4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-N-methyl-4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-N-methyl-4-[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-N-methyl-4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-N-methyl-4-[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

CNC(=O)[C@@H]1CN(C2=CC=CC=C2O1)C(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C18H16N4O3S2/c1-19-16(24)14-8-22(12-4-2-3-5-13(12)25-14)15(23)9-27-18-11-6-7-26-17(11)20-10-21-18/h2-7,10,14H,8-9H2,1H3,(H,19,24)/t14-/m0/s1