[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-phenylthiophene-2-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=C(C=CS1)C2=CC=CC=C2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=C(C=CS1)C2=CC=CC=C2

InChI

InChI=1S/C18H21NO3S/c1-13(2)8-10-19-16(20)12-22-18(21)17-15(9-11-23-17)14-6-4-3-5-7-14/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,19,20)