1-[(3-butoxycarbonyl-2-methylidene-but-3-enoyl)amino]-2-methyl-propane-1-sulfonic acid

Systemtic Name: 1-[(3-butoxycarbonyl-2-methylidene-but-3-enoyl)amino]-2-methyl-propane-1-sulfonic acid Openeye Name: 1-[(3-butoxycarbonyl-2-methylene-but-3-enoyl)amino]-2-methyl-propane-1-sulfonic acid CAS Name: 1-[[3-[butoxy(oxo)methyl]-2-methylene-1-oxobut-3-enyl]amino]-2-methyl-1-propanesulfonic acid IUPAC Name: 1-[(3-butoxycarbonyl-2-methylidenebut-3-enoyl)amino]-2-methylpropane-1-sulfonic acid Traditional Name: 1-[(3-butoxycarbonyl-2-methylene-but-3-enoyl)amino]-2-methyl-propane-1-sulfonic acid Formula: C14H23NO6S MolecularWeight: 333.40052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=C)C(=C)C(=O)NC(C(C)C)S(=O)(=O)O

Isomeric SMILES

CCCCOC(=O)C(=C)C(=C)C(=O)NC(C(C)C)S(=O)(=O)O

InChI

InChI=1S/C14H23NO6S/c1-6-7-8-21-14(17)11(5)10(4)12(16)15-13(9(2)3)22(18,19)20/h9,13H,4-8H2,1-3H3,(H,15,16)(H,18,19,20)