[2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxo-ethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-thenoyl)pyrrolidine-2-carboxylic acid [2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-keto-ethyl] ester Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)COC(=O)C3CCCN3C(=O)C4=CC=CS4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)COC(=O)C3CCCN3C(=O)C4=CC=CS4)OCO2

InChI

InChI=1S/C21H20N2O7S/c1-12(24)13-8-16-17(30-11-29-16)9-14(13)22-19(25)10-28-21(27)15-4-2-6-23(15)20(26)18-5-3-7-31-18/h3,5,7-9,15H,2,4,6,10-11H2,1H3,(H,22,25)