methyl 4-[[4-oxidanylidene-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazin-6-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[4-oxidanylidene-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazin-6-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[4-oxo-3-(3-pyridylmethyl)-2-(3-pyridylmethylimino)-1,3-thiazine-6-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[4-oxo-3-(3-pyridinylmethyl)-2-(3-pyridinylmethylimino)-1,3-thiazin-6-yl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-3-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylimino)-1,3-thiazine-6-carbonyl]amino]benzoate Traditional Name: 4-[[4-keto-3-(3-pyridylmethyl)-2-(3-pyridylmethylimino)-1,3-thiazine-6-carbonyl]amino]benzoic acid methyl ester Formula: C25H21N5O4S MolecularWeight: 487.53034

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=O)N(C(=NCC3=CN=CC=C3)S2)CC4=CN=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=O)N(C(=NCC3=CN=CC=C3)S2)CC4=CN=CC=C4

InChI

InChI=1S/C25H21N5O4S/c1-34-24(33)19-6-8-20(9-7-19)29-23(32)21-12-22(31)30(16-18-5-3-11-27-14-18)25(35-21)28-15-17-4-2-10-26-13-17/h2-14H,15-16H2,1H3,(H,29,32)