(E)-4-[(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[(3-ethoxycarbonyl-5-ethyl-thiophen-2-yl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[(3-ethoxycarbonyl-5-ethyl-2-thienyl)amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[(3-ethoxycarbonyl-5-ethyl-2-thiophenyl)amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[(3-ethoxycarbonyl-5-ethylthiophen-2-yl)amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[(3-carbethoxy-5-ethyl-2-thienyl)amino]-4-keto-but-2-enoic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C=CC(=O)O)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)/C=C/C(=O)O)C(=O)OCC

InChI

InChI=1S/C13H15NO5S/c1-3-8-7-9(13(18)19-4-2)12(20-8)14-10(15)5-6-11(16)17/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,17)/b6-5+