(3,3-dimethyl-2-oxidanylidene-butyl) 4-chloranyl-3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-chloranyl-3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 4-chloro-3-(thiophene-2-carbonylamino)benzoate CAS Name: 4-chloro-3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-chloro-3-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-chloro-3-(2-thenoylamino)benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H18ClNO4S MolecularWeight: 379.85782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC=CS2

InChI

InChI=1S/C18H18ClNO4S/c1-18(2,3)15(21)10-24-17(23)11-6-7-12(19)13(9-11)20-16(22)14-5-4-8-25-14/h4-9H,10H2,1-3H3,(H,20,22)