[2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-propan-2-yloxypropylamino)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [2-(3-isopropoxypropylamino)-2-oxo-ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [2-(3-isopropoxypropylamino)-2-keto-ethyl] ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)COC(=O)C1=C(C=CS1)N2C=CC=C2

Isomeric SMILES

CC(C)OCCCNC(=O)COC(=O)C1=C(C=CS1)N2C=CC=C2

InChI

InChI=1S/C17H22N2O4S/c1-13(2)22-10-5-7-18-15(20)12-23-17(21)16-14(6-11-24-16)19-8-3-4-9-19/h3-4,6,8-9,11,13H,5,7,10,12H2,1-2H3,(H,18,20)