[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolidinylsulfonyl)-2-thiophenecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate Traditional Name: 3-pyrrolidinosulfonylthiophene-2-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C16H24N2O5S2 MolecularWeight: 388.50216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=C(C=CS1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H24N2O5S2/c1-12(2)5-7-17-14(19)11-23-16(20)15-13(6-10-24-15)25(21,22)18-8-3-4-9-18/h6,10,12H,3-5,7-9,11H2,1-2H3,(H,17,19)