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

Systemtic Name: methyl 4-[[4-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)-2-phenethylimino-1,3-thiazol-3-yl]iminomethyl]benzoate Openeye Name: methyl 4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenethylimino-thiazol-3-yl]iminomethyl]benzoate CAS Name: 4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenethylimino-3-thiazolyl]iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenethylimino-1,3-thiazol-3-yl]iminomethyl]benzoate Traditional Name: 4-[[4-(3-keto-4H-1,4-benzoxazin-6-yl)-2-phenethylimino-4-thiazolin-3-yl]iminomethyl]benzoic acid methyl ester Formula: C28H24N4O4S MolecularWeight: 512.57956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NN2C(=CSC2=NCCC3=CC=CC=C3)C4=CC5=C(C=C4)OCC(=O)N5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C=NN2C(=CSC2=NCCC3=CC=CC=C3)C4=CC5=C(C=C4)OCC(=O)N5

InChI

InChI=1S/C28H24N4O4S/c1-35-27(34)21-9-7-20(8-10-21)16-30-32-24(22-11-12-25-23(15-22)31-26(33)17-36-25)18-37-28(32)29-14-13-19-5-3-2-4-6-19/h2-12,15-16,18H,13-14,17H2,1H3,(H,31,33)