4-[ethanoyl(ethoxycarbonyl)amino]-5-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)-2,5-dihydrothiophene-3-carboxylic acid

Systemtic Name: 4-[ethanoyl(ethoxycarbonyl)amino]-5-(1-oxidanyl-1-oxidanylidene-pentan-2-yl)-2,5-dihydrothiophene-3-carboxylic acid Openeye Name: 4-[acetyl(ethoxycarbonyl)amino]-5-(1-carboxybutyl)-2,5-dihydrothiophene-3-carboxylic acid CAS Name: 4-[acetyl(ethoxycarbonyl)amino]-5-(1-hydroxy-1-oxopentan-2-yl)-2,5-dihydrothiophene-3-carboxylic acid IUPAC Name: 4-[acetyl(ethoxycarbonyl)amino]-5-(1-hydroxy-1-oxopentan-2-yl)-2,5-dihydrothiophene-3-carboxylic acid Traditional Name: 4-[acetyl(carbethoxy)amino]-5-(1-carboxybutyl)-2,5-dihydrothiophene-3-carboxylic acid Formula: C15H21NO7S MolecularWeight: 359.39474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1C(=C(CS1)C(=O)O)N(C(=O)C)C(=O)OCC)C(=O)O

Isomeric SMILES

CCCC(C1C(=C(CS1)C(=O)O)N(C(=O)C)C(=O)OCC)C(=O)O

InChI

InChI=1S/C15H21NO7S/c1-4-6-9(13(18)19)12-11(10(7-24-12)14(20)21)16(8(3)17)15(22)23-5-2/h9,12H,4-7H2,1-3H3,(H,18,19)(H,20,21)