5-azanyl-4-cyano-3-(2-methoxy-2-oxidanylidene-ethyl)thiophene-2-carboxylic acid

Systemtic Name: 5-azanyl-4-cyano-3-(2-methoxy-2-oxidanylidene-ethyl)thiophene-2-carboxylic acid Openeye Name: 5-amino-4-cyano-3-(2-methoxy-2-oxo-ethyl)thiophene-2-carboxylic acid CAS Name: 5-amino-4-cyano-3-(2-methoxy-2-oxoethyl)-2-thiophenecarboxylic acid IUPAC Name: 5-amino-4-cyano-3-(2-methoxy-2-oxoethyl)thiophene-2-carboxylic acid Traditional Name: 5-amino-4-cyano-3-(2-keto-2-methoxy-ethyl)-2-thenoic acid Formula: C9H8N2O4S MolecularWeight: 240.23582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(SC(=C1C#N)N)C(=O)O

Isomeric SMILES

COC(=O)CC1=C(SC(=C1C#N)N)C(=O)O

InChI

InChI=1S/C9H8N2O4S/c1-15-6(12)2-4-5(3-10)8(11)16-7(4)9(13)14/h2,11H2,1H3,(H,13,14)