ethyl 4-[4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-pyridin-3-ylimino-1,3-thiazol-3-yl]butanoate

Systemtic Name: ethyl 4-[4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-pyridin-3-ylimino-1,3-thiazol-3-yl]butanoate Openeye Name: ethyl 4-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-pyridylimino)thiazol-3-yl]butanoate CAS Name: 4-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-pyridinylimino)-3-thiazolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridin-3-ylimino-1,3-thiazol-3-yl]butanoate Traditional Name: 4-[4-(3-keto-4H-1,4-benzoxazin-6-yl)-2-(3-pyridylimino)-4-thiazolin-3-yl]butyric acid ethyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=CSC1=NC2=CN=CC=C2)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCOC(=O)CCCN1C(=CSC1=NC2=CN=CC=C2)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C22H22N4O4S/c1-2-29-21(28)6-4-10-26-18(14-31-22(26)24-16-5-3-9-23-12-16)15-7-8-19-17(11-15)25-20(27)13-30-19/h3,5,7-9,11-12,14H,2,4,6,10,13H2,1H3,(H,25,27)