(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-(2-methylpropanoylamino)benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-(2-methylpropanoylamino)benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-(2-methylpropanoylamino)benzoate CAS Name: 4-[(2-methyl-1-oxopropyl)amino]benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-(2-methylpropanoylamino)benzoate Traditional Name: 4-(isobutyrylamino)benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=CS2

InChI

InChI=1S/C17H17NO4S/c1-11(2)16(20)18-13-7-5-12(6-8-13)17(21)22-10-14(19)15-4-3-9-23-15/h3-9,11H,10H2,1-2H3,(H,18,20)