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

Systemtic Name: 6-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC=CN3C4=CC(=CC=C4)OC

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NC=CN3C4=CC(=CC=C4)OC

InChI

InChI=1S/C21H19N3O4S/c1-13(20(26)14-6-7-18-17(10-14)23-19(25)12-28-18)29-21-22-8-9-24(21)15-4-3-5-16(11-15)27-2/h3-11,13H,12H2,1-2H3,(H,23,25)