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

Systemtic Name: ethyl 4-cyano-3-methyl-5-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(ON=C2C3=CC=CC=C3)C)C#N)C

InChI

InChI=1S/C20H17N3O4S/c1-4-26-20(25)17-11(2)14(10-21)19(28-17)22-18(24)15-12(3)27-23-16(15)13-8-6-5-7-9-13/h5-9H,4H2,1-3H3,(H,22,24)