(2R)-4-[2-(1-cyclopropylimidazol-2-yl)sulfanylethanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[2-(1-cyclopropylimidazol-2-yl)sulfanylethanoyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[2-[(1-cyclopropyl-2-imidazolyl)thio]-1-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[2-[(1-cyclopropylimidazol-2-yl)thio]acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C18H20N4O3S MolecularWeight: 372.4414

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=O)CSC3=NC=CN3C4CC4

Isomeric SMILES

CNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=O)CSC3=NC=CN3C4CC4

InChI

InChI=1S/C18H20N4O3S/c1-19-17(24)15-10-22(13-4-2-3-5-14(13)25-15)16(23)11-26-18-20-8-9-21(18)12-6-7-12/h2-5,8-9,12,15H,6-7,10-11H2,1H3,(H,19,24)/t15-/m1/s1