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

Systemtic Name: 6-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-allylbenzimidazol-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(1-prop-2-enyl-2-benzimidazolyl)thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-allylbenzimidazol-2-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

C=CCN1C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C20H17N3O3S/c1-2-9-23-16-6-4-3-5-14(16)22-20(23)27-12-17(24)13-7-8-18-15(10-13)21-19(25)11-26-18/h2-8,10H,1,9,11-12H2,(H,21,25)