ethyl 2-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(1,1,3-triketo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H20N2O6S2 MolecularWeight: 448.5126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C20H20N2O6S2/c1-2-28-20(25)17-12-7-3-5-9-14(12)29-18(17)21-16(23)11-22-19(24)13-8-4-6-10-15(13)30(22,26)27/h4,6,8,10H,2-3,5,7,9,11H2,1H3,(H,21,23)