(3,3-dimethyl-2-oxidanylidene-butyl) 2-(cyclopropylcarbonylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(cyclopropylcarbonylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(cyclopropanecarbonylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[cyclopropyl(oxo)methyl]amino]-4-phenyl-3-thiophenecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(cyclopropanecarbonylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 2-(cyclopropanecarbonylamino)-4-phenyl-thiophene-3-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3CC3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3CC3

InChI

InChI=1S/C21H23NO4S/c1-21(2,3)16(23)11-26-20(25)17-15(13-7-5-4-6-8-13)12-27-19(17)22-18(24)14-9-10-14/h4-8,12,14H,9-11H2,1-3H3,(H,22,24)