2-[3-(methylamino)-1-thiophen-2-yl-propoxy]-2-oxidanylidene-ethanoic acid; 6-oxidanylidenecyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 2-[3-(methylamino)-1-thiophen-2-yl-propoxy]-2-oxidanylidene-ethanoic acid; 6-oxidanylidenecyclohexa-1,3-diene-1-carbonitrile Openeye Name: 2-[3-(methylamino)-1-(2-thienyl)propoxy]-2-oxo-acetic acid; 6-oxocyclohexa-1,3-diene-1-carbonitrile CAS Name: 2-[3-(methylamino)-1-thiophen-2-ylpropoxy]-2-oxoacetic acid; 6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 2-[3-(methylamino)-1-thiophen-2-ylpropoxy]-2-oxoacetic acid; 6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 6-ketocyclohexa-1,3-diene-1-carbonitrile; 2-keto-2-[3-(methylamino)-1-(2-thienyl)propoxy]acetic acid Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC(C1=CC=CS1)OC(=O)C(=O)O.C1C=CC=C(C1=O)C#N

Isomeric SMILES

CNCCC(C1=CC=CS1)OC(=O)C(=O)O.C1C=CC=C(C1=O)C#N

InChI

InChI=1S/C10H13NO4S.C7H5NO/c1-11-5-4-7(8-3-2-6-16-8)15-10(14)9(12)13;8-5-6-3-1-2-4-7(6)9/h2-3,6-7,11H,4-5H2,1H3,(H,12,13);1-3H,4H2