methyl 4-[[2-(3-chloranyl-4-methyl-phenyl)imino-3-ethyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-(3-chloranyl-4-methyl-phenyl)imino-3-ethyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(3-chloro-4-methyl-phenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate CAS Name: 4-[[[2-(3-chloro-4-methylphenyl)imino-3-ethyl-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-chloro-4-methylphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate Traditional Name: 4-[[2-(3-chloro-4-methyl-phenyl)imino-3-ethyl-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid methyl ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(SC1=NC2=CC(=C(C=C2)C)Cl)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C(=O)CC(SC1=NC2=CC(=C(C=C2)C)Cl)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22ClN3O4S/c1-4-26-19(27)12-18(31-22(26)25-16-8-5-13(2)17(23)11-16)20(28)24-15-9-6-14(7-10-15)21(29)30-3/h5-11,18H,4,12H2,1-3H3,(H,24,28)