4-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxidanylidene-6H-1,3,4-thiadiazin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxidanylidene-6H-1,3,4-thiadiazin-3-yl]methyl]benzoic acid Openeye Name: 4-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]benzoic acid CAS Name: 4-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-oxo-6H-1,3,4-thiadiazin-3-yl]methyl]benzoic acid Traditional Name: 4-[[5-(3,4-dimethoxyphenyl)-6-ethyl-2-keto-6H-1,3,4-thiadiazin-3-yl]methyl]benzoic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=NN(C(=O)S1)CC2=CC=C(C=C2)C(=O)O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1C(=NN(C(=O)S1)CC2=CC=C(C=C2)C(=O)O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N2O5S/c1-4-18-19(15-9-10-16(27-2)17(11-15)28-3)22-23(21(26)29-18)12-13-5-7-14(8-6-13)20(24)25/h5-11,18H,4,12H2,1-3H3,(H,24,25)