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

Systemtic Name: 3-[[2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(3,4-dimethylphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-(3,4-dimethylphenyl)imino-3-ethyl-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O4S/c1-4-25-19(26)12-18(20(27)23-16-7-5-6-15(11-16)21(28)29)30-22(25)24-17-9-8-13(2)14(3)10-17/h5-11,18H,4,12H2,1-3H3,(H,23,27)(H,28,29)