[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3-phenylthiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 3-phenylthiophene-2-carboxylate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 3-phenylthiophene-2-carboxylate CAS Name: 3-phenyl-2-thiophenecarboxylic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 3-phenylthiophene-2-carboxylate Traditional Name: 3-phenylthiophene-2-carboxylic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C18H21NO3S MolecularWeight: 331.42924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=C(C=CS1)C2=CC=CC=C2

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=C(C=CS1)C2=CC=CC=C2

InChI

InChI=1S/C18H21NO3S/c1-3-7-13(2)19-16(20)12-22-18(21)17-15(10-11-23-17)14-8-5-4-6-9-14/h4-6,8-11,13H,3,7,12H2,1-2H3,(H,19,20)