2-[3-(ethoxycarbonylamino)-4-isocyanato-thiophen-2-yl]pentanoic acid

Systemtic Name: 2-[3-(ethoxycarbonylamino)-4-isocyanato-thiophen-2-yl]pentanoic acid Openeye Name: 2-[3-(ethoxycarbonylamino)-4-isocyanato-2-thienyl]pentanoic acid CAS Name: 2-[3-(ethoxycarbonylamino)-4-isocyanato-2-thiophenyl]pentanoic acid IUPAC Name: 2-[3-(ethoxycarbonylamino)-4-isocyanatothiophen-2-yl]pentanoic acid Traditional Name: 2-[3-(carbethoxyamino)-4-isocyanato-2-thienyl]valeric acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C(=CS1)N=C=O)NC(=O)OCC)C(=O)O

Isomeric SMILES

CCCC(C1=C(C(=CS1)N=C=O)NC(=O)OCC)C(=O)O

InChI

InChI=1S/C13H16N2O5S/c1-3-5-8(12(17)18)11-10(15-13(19)20-4-2)9(6-21-11)14-7-16/h6,8H,3-5H2,1-2H3,(H,15,19)(H,17,18)