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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: (2-acetamidothiazol-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-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-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-acetamidothiazol-4-yl)methyl ester Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2NC(=O)CC3=CC=CS3)OC)OC

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2NC(=O)CC3=CC=CS3)OC)OC

InChI

InChI=1S/C21H21N3O6S2/c1-12(25)22-21-23-13(11-32-21)10-30-20(27)15-8-17(28-2)18(29-3)9-16(15)24-19(26)7-14-5-4-6-31-14/h4-6,8-9,11H,7,10H2,1-3H3,(H,24,26)(H,22,23,25)