6-[2-prop-2-enylimino-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-prop-2-enylimino-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-allylimino-3-[1-(3-pyridyl)ethylideneamino]thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-prop-2-enylimino-3-[1-(3-pyridinyl)ethylideneamino]-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-prop-2-enylimino-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-allylimino-3-[1-(3-pyridyl)ethylideneamino]-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN1C(=CSC1=NCC=C)C2=CC3=C(C=C2)OCC(=O)N3)C4=CN=CC=C4

Isomeric SMILES

CC(=NN1C(=CSC1=NCC=C)C2=CC3=C(C=C2)OCC(=O)N3)C4=CN=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-3-8-23-21-26(25-14(2)16-5-4-9-22-11-16)18(13-29-21)15-6-7-19-17(10-15)24-20(27)12-28-19/h3-7,9-11,13H,1,8,12H2,2H3,(H,24,27)