methyl 4-[[2-methylimino-4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-3-yl]iminomethyl]benzoate

Systemtic Name: methyl 4-[[2-methylimino-4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-3-yl]iminomethyl]benzoate Openeye Name: methyl 4-[[2-methylimino-4-(3-oxo-4H-1,4-benzoxazin-6-yl)thiazol-3-yl]iminomethyl]benzoate CAS Name: 4-[[2-methylimino-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-thiazolyl]iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-methylimino-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-3-yl]iminomethyl]benzoate Traditional Name: 4-[[4-(3-keto-4H-1,4-benzoxazin-6-yl)-2-methylimino-4-thiazolin-3-yl]iminomethyl]benzoic acid methyl ester Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CN=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C21H18N4O4S/c1-22-21-25(23-10-13-3-5-14(6-4-13)20(27)28-2)17(12-30-21)15-7-8-18-16(9-15)24-19(26)11-29-18/h3-10,12H,11H2,1-2H3,(H,24,26)