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

Systemtic Name: 6-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[1-(3-methoxyphenyl)-2-imidazolyl]thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[[1-(3-methoxyphenyl)imidazol-2-yl]thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

COC1=CC=CC(=C1)N2C=CN=C2SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C20H17N3O4S/c1-26-15-4-2-3-14(10-15)23-8-7-21-20(23)28-12-17(24)13-5-6-18-16(9-13)22-19(25)11-27-18/h2-10H,11-12H2,1H3,(H,22,25)