2-[3-[ethanoyl(ethoxycarbonyl)amino]-4-isocyanato-2,5-dihydrothiophen-2-yl]pentanoic acid

Systemtic Name: 2-[3-[ethanoyl(ethoxycarbonyl)amino]-4-isocyanato-2,5-dihydrothiophen-2-yl]pentanoic acid Openeye Name: 2-[3-[acetyl(ethoxycarbonyl)amino]-4-isocyanato-2,5-dihydrothiophen-2-yl]pentanoic acid CAS Name: 2-[3-[acetyl(ethoxycarbonyl)amino]-4-isocyanato-2,5-dihydrothiophen-2-yl]pentanoic acid IUPAC Name: 2-[3-[acetyl(ethoxycarbonyl)amino]-4-isocyanato-2,5-dihydrothiophen-2-yl]pentanoic acid Traditional Name: 2-[3-[acetyl(carbethoxy)amino]-4-isocyanato-2,5-dihydrothiophen-2-yl]valeric acid Formula: C15H20N2O6S MolecularWeight: 356.3941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O6S/c1-4-6-10(14(20)21)13-12(11(7-24-13)16-8-18)17(9(3)19)15(22)23-5-2/h10,13H,4-7H2,1-3H3,(H,20,21)