ethyl 4-methyl-5-(methylcarbamoyl)-2-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[3-(thiazol-4-ylmethoxy)benzoyl]amino]thiophene-3-carboxylate CAS Name: 4-methyl-5-(methylcarbamoyl)-2-[[oxo-[3-(4-thiazolylmethoxy)phenyl]methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-(methylcarbamoyl)-2-[[3-(thiazol-4-ylmethoxy)benzoyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H21N3O5S2 MolecularWeight: 459.53854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)C2=CC(=CC=C2)OCC3=CSC=N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)C2=CC(=CC=C2)OCC3=CSC=N3

InChI

InChI=1S/C21H21N3O5S2/c1-4-28-21(27)16-12(2)17(19(26)22-3)31-20(16)24-18(25)13-6-5-7-15(8-13)29-9-14-10-30-11-23-14/h5-8,10-11H,4,9H2,1-3H3,(H,22,26)(H,24,25)