6-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4CCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3)C4CCCC4)C

InChI

InChI=1S/C20H23N3O3S/c1-12-13(2)23(15-5-3-4-6-15)20(21-12)27-11-17(24)14-7-8-18-16(9-14)22-19(25)10-26-18/h7-9,15H,3-6,10-11H2,1-2H3,(H,22,25)