[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] thiophene-3-carboxylate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] thiophene-3-carboxylate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] thiophene-3-carboxylate CAS Name: 3-thiophenecarboxylic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] thiophene-3-carboxylate Traditional Name: thiophene-3-carboxylic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C18H19NO4S MolecularWeight: 345.41276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CSC=C2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CSC=C2

InChI

InChI=1S/C18H19NO4S/c1-12(2)9-17(21)19-15-5-3-13(4-6-15)16(20)10-23-18(22)14-7-8-24-11-14/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)