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

Systemtic Name: methyl 4-[[2-(4-chlorophenyl)imino-4-oxidanylidene-3-phenethyl-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(4-chlorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoate CAS Name: 4-[[[2-(4-chlorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-chlorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoate Traditional Name: 4-[[2-(4-chlorophenyl)imino-4-keto-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid methyl ester Formula: C27H24ClN3O4S MolecularWeight: 522.01516

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)Cl)S2)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)Cl)S2)CCC4=CC=CC=C4

InChI

InChI=1S/C27H24ClN3O4S/c1-35-26(34)19-7-11-21(12-8-19)29-25(33)23-17-24(32)31(16-15-18-5-3-2-4-6-18)27(36-23)30-22-13-9-20(28)10-14-22/h2-14,23H,15-17H2,1H3,(H,29,33)