(E)-2-[2-(butoxycarbonylamino)-1,3-thiazol-4-yl]hex-3-enoic acid

Systemtic Name: (E)-2-[2-(butoxycarbonylamino)-1,3-thiazol-4-yl]hex-3-enoic acid Openeye Name: (E)-2-[2-(butoxycarbonylamino)thiazol-4-yl]hex-3-enoic acid CAS Name: (E)-2-[2-[[butoxy(oxo)methyl]amino]-4-thiazolyl]-3-hexenoic acid IUPAC Name: (E)-2-[2-(butoxycarbonylamino)-1,3-thiazol-4-yl]hex-3-enoic acid Traditional Name: (E)-2-[2-(butoxycarbonylamino)thiazol-4-yl]hex-3-enoic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC1=NC(=CS1)C(C=CCC)C(=O)O

Isomeric SMILES

CCCCOC(=O)NC1=NC(=CS1)C(/C=C/CC)C(=O)O

InChI

InChI=1S/C14H20N2O4S/c1-3-5-7-10(12(17)18)11-9-21-13(15-11)16-14(19)20-8-6-4-2/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,17,18)(H,15,16,19)/b7-5+