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

Systemtic Name: 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-(3,4-dichlorophenyl)imino-3-ethyl-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C20H17Cl2N3O4S MolecularWeight: 466.33768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17Cl2N3O4S/c1-2-25-17(26)10-16(18(27)23-12-5-3-4-11(8-12)19(28)29)30-20(25)24-13-6-7-14(21)15(22)9-13/h3-9,16H,2,10H2,1H3,(H,23,27)(H,28,29)