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

Systemtic Name: 4-[[2-(4-methoxyphenyl)imino-4-oxidanylidene-3-(3-phenylpropyl)-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(4-methoxyphenyl)imino-4-oxo-3-(3-phenylpropyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-(4-methoxyphenyl)imino-4-oxo-3-(3-phenylpropyl)-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-methoxyphenyl)imino-4-oxo-3-(3-phenylpropyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[4-keto-2-(4-methoxyphenyl)imino-3-(3-phenylpropyl)-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C28H27N3O5S MolecularWeight: 517.59608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=C(C=C3)C(=O)O)CCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N=C2N(C(=O)CC(S2)C(=O)NC3=CC=C(C=C3)C(=O)O)CCCC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O5S/c1-36-23-15-13-22(14-16-23)30-28-31(17-5-8-19-6-3-2-4-7-19)25(32)18-24(37-28)26(33)29-21-11-9-20(10-12-21)27(34)35/h2-4,6-7,9-16,24H,5,8,17-18H2,1H3,(H,29,33)(H,34,35)