(2-ethyl-1,3-thiazol-4-yl)methyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate

Systemtic Name: (2-ethyl-1,3-thiazol-4-yl)methyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: (2-ethylthiazol-4-yl)methyl 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid (2-ethyl-4-thiazolyl)methyl ester IUPAC Name: (2-ethyl-1,3-thiazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid (2-ethylthiazol-4-yl)methyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2NC(=O)CC3=CC=CS3)OC)OC

Isomeric SMILES

CCC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2NC(=O)CC3=CC=CS3)OC)OC

InChI

InChI=1S/C21H22N2O5S2/c1-4-20-22-13(12-30-20)11-28-21(25)15-9-17(26-2)18(27-3)10-16(15)23-19(24)8-14-6-5-7-29-14/h5-7,9-10,12H,4,8,11H2,1-3H3,(H,23,24)