2-(carboxycarbonylamino)-5-[[(2-ethoxy-2-oxidanylidene-ethyl)carbamoylamino]methyl]thiophene-3-carboxylic acid

Systemtic Name: 2-(carboxycarbonylamino)-5-[[(2-ethoxy-2-oxidanylidene-ethyl)carbamoylamino]methyl]thiophene-3-carboxylic acid Openeye Name: 5-[[(2-ethoxy-2-oxo-ethyl)carbamoylamino]methyl]-2-(oxaloamino)thiophene-3-carboxylic acid CAS Name: 5-[[[[(2-ethoxy-2-oxoethyl)amino]-oxomethyl]amino]methyl]-2-(oxaloamino)-3-thiophenecarboxylic acid IUPAC Name: 5-[[(2-ethoxy-2-oxoethyl)carbamoylamino]methyl]-2-(oxaloamino)thiophene-3-carboxylic acid Traditional Name: 5-[[(2-ethoxy-2-keto-ethyl)carbamoylamino]methyl]-2-(oxaloamino)-3-thenoic acid Formula: C13H15N3O8S MolecularWeight: 373.3385

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)NCC1=CC(=C(S1)NC(=O)C(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)CNC(=O)NCC1=CC(=C(S1)NC(=O)C(=O)O)C(=O)O

InChI

InChI=1S/C13H15N3O8S/c1-2-24-8(17)5-15-13(23)14-4-6-3-7(11(19)20)10(25-6)16-9(18)12(21)22/h3H,2,4-5H2,1H3,(H,16,18)(H,19,20)(H,21,22)(H2,14,15,23)