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

Systemtic Name: 4-[[2-(3-chloranyl-4-methyl-phenyl)imino-3-ethyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(3-chloro-4-methyl-phenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-(3-chloro-4-methylphenyl)imino-3-ethyl-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(3-chloro-4-methylphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[2-(3-chloro-4-methyl-phenyl)imino-3-ethyl-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O4S/c1-3-25-18(26)11-17(19(27)23-14-8-5-13(6-9-14)20(28)29)30-21(25)24-15-7-4-12(2)16(22)10-15/h4-10,17H,3,11H2,1-2H3,(H,23,27)(H,28,29)