ethyl 5-phenyl-2-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-phenyl-2-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C22H18N2O6S2 MolecularWeight: 470.51812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H18N2O6S2/c1-2-30-22(27)16-12-17(14-8-4-3-5-9-14)31-20(16)23-19(25)13-24-21(26)15-10-6-7-11-18(15)32(24,28)29/h3-12H,2,13H2,1H3,(H,23,25)