2-[[methyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]thiophen-2-yl]amino]methylidene]propanedioic acid

Systemtic Name: 2-[[methyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]thiophen-2-yl]amino]methylidene]propanedioic acid Openeye Name: 2-[[(3-tert-butoxycarbonyl-2-thienyl)-methyl-amino]methylene]propanedioic acid CAS Name: 2-[[methyl-[3-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-thiophenyl]amino]methylidene]propanedioic acid IUPAC Name: 2-[[methyl-[3-[(2-methylpropan-2-yl)oxycarbonyl]thiophen-2-yl]amino]methylidene]propanedioic acid Traditional Name: 2-[[(3-tert-butoxycarbonyl-2-thienyl)-methyl-amino]methylene]malonic acid Formula: C14H17NO6S MolecularWeight: 327.35288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(SC=C1)N(C)C=C(C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(SC=C1)N(C)C=C(C(=O)O)C(=O)O

InChI

InChI=1S/C14H17NO6S/c1-14(2,3)21-13(20)8-5-6-22-10(8)15(4)7-9(11(16)17)12(18)19/h5-7H,1-4H3,(H,16,17)(H,18,19)