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

Systemtic Name: 4-[[2-(4-chlorophenyl)imino-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(4-chlorophenyl)imino-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-(4-chlorophenyl)imino-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-chlorophenyl)imino-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[2-(4-chlorophenyl)imino-3-homoveratryl-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C28H26ClN3O6S MolecularWeight: 568.04054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)CC(SC2=NC3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)CC(SC2=NC3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C28H26ClN3O6S/c1-37-22-12-3-17(15-23(22)38-2)13-14-32-25(33)16-24(39-28(32)31-21-10-6-19(29)7-11-21)26(34)30-20-8-4-18(5-9-20)27(35)36/h3-12,15,24H,13-14,16H2,1-2H3,(H,30,34)(H,35,36)