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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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