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

Systemtic Name: 4-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-2-phenylimino-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[(3-homoveratryl-4-keto-2-phenylimino-1,3-thiazinane-6-carbonyl)amino]benzoic acid Formula: C28H27N3O6S MolecularWeight: 533.59548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H27N3O6S/c1-36-22-13-8-18(16-23(22)37-2)14-15-31-25(32)17-24(38-28(31)30-20-6-4-3-5-7-20)26(33)29-21-11-9-19(10-12-21)27(34)35/h3-13,16,24H,14-15,17H2,1-2H3,(H,29,33)(H,34,35)