ethyl 4-[[4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-3-pentan-2-yl-1,3-thiazol-2-ylidene]amino]benzoate

Systemtic Name: ethyl 4-[[4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-3-pentan-2-yl-1,3-thiazol-2-ylidene]amino]benzoate Openeye Name: ethyl 4-[[3-(1-methylbutyl)-4-(3-oxo-4H-1,4-benzoxazin-6-yl)thiazol-2-ylidene]amino]benzoate CAS Name: 4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-pentan-2-yl-2-thiazolylidene]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-pentan-2-yl-1,3-thiazol-2-ylidene]amino]benzoate Traditional Name: 4-[[4-(3-keto-4H-1,4-benzoxazin-6-yl)-3-(1-methylbutyl)-4-thiazolin-2-ylidene]amino]benzoic acid ethyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C(=CSC1=NC2=CC=C(C=C2)C(=O)OCC)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCCC(C)N1C(=CSC1=NC2=CC=C(C=C2)C(=O)OCC)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C25H27N3O4S/c1-4-6-16(3)28-21(18-9-12-22-20(13-18)27-23(29)14-32-22)15-33-25(28)26-19-10-7-17(8-11-19)24(30)31-5-2/h7-13,15-16H,4-6,14H2,1-3H3,(H,27,29)