ethyl 4-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)imino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)imino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate CAS Name: 4-[[[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate Traditional Name: 4-[[2-(2-fluorophenyl)imino-3-homoveratryl-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid ethyl ester Formula: C30H30FN3O6S MolecularWeight: 579.639103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3F)S2)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=CC=C3F)S2)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C30H30FN3O6S/c1-4-40-29(37)20-10-12-21(13-11-20)32-28(36)26-18-27(35)34(30(41-26)33-23-8-6-5-7-22(23)31)16-15-19-9-14-24(38-2)25(17-19)39-3/h5-14,17,26H,4,15-16,18H2,1-3H3,(H,32,36)