[2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxidanylidene-ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: [2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxidanylidene-ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-[(2-cyanobenzofuran-3-yl)amino]-2-oxo-ethyl] 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [2-[(2-cyano-3-benzofuranyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-cyano-1-benzofuran-3-yl)amino]-2-oxoethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [2-[(2-cyanobenzofuran-3-yl)amino]-2-keto-ethyl] ester Formula: C25H18N2O5S MolecularWeight: 458.48582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)OCC(=O)NC4=C(OC5=CC=CC=C54)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)OCC(=O)NC4=C(OC5=CC=CC=C54)C#N

InChI

InChI=1S/C25H18N2O5S/c1-30-16-8-9-17-14(10-16)6-7-15-11-21(33-24(15)17)25(29)31-13-22(28)27-23-18-4-2-3-5-19(18)32-20(23)12-26/h2-5,8-11H,6-7,13H2,1H3,(H,27,28)