propan-2-yl 4-cyano-3-methyl-5-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: propan-2-yl 4-cyano-3-methyl-5-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: isopropyl 4-cyano-3-methyl-5-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[(5-methyl-3-phenyl-4-isoxazolyl)-oxomethyl]amino]-2-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-cyano-3-methyl-5-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[(5-methyl-3-phenyl-isoxazole-4-carbonyl)amino]thiophene-2-carboxylic acid isopropyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C)C(=O)OC(C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C)C(=O)OC(C)C

InChI

InChI=1S/C21H19N3O4S/c1-11(2)27-21(26)18-12(3)15(10-22)20(29-18)23-19(25)16-13(4)28-24-17(16)14-8-6-5-7-9-14/h5-9,11H,1-4H3,(H,23,25)