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

Systemtic Name: methyl 4-[[2-(4-bromophenyl)imino-3-methyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(4-bromophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate CAS Name: 4-[[[2-(4-bromophenyl)imino-3-methyl-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-bromophenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate Traditional Name: 4-[[2-(4-bromophenyl)imino-4-keto-3-methyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid methyl ester Formula: C20H18BrN3O4S MolecularWeight: 476.34362

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(SC1=NC2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C(=O)CC(SC1=NC2=CC=C(C=C2)Br)C(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H18BrN3O4S/c1-24-17(25)11-16(29-20(24)23-15-9-5-13(21)6-10-15)18(26)22-14-7-3-12(4-8-14)19(27)28-2/h3-10,16H,11H2,1-2H3,(H,22,26)