6-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(1-cyclopropyl-2-imidazolyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-cyclopropylimidazol-2-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC=CN3C4CC4

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC=CN3C4CC4

InChI

InChI=1S/C17H17N3O3S/c1-10(24-17-18-6-7-20(17)12-3-4-12)16(22)11-2-5-14-13(8-11)19-15(21)9-23-14/h2,5-8,10,12H,3-4,9H2,1H3,(H,19,21)