[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)OCC(=O)NC(=O)NCC4=CC=CO4

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2)C(=O)OCC(=O)NC(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H18N2O5S/c24-18(23-21(26)22-11-15-5-3-9-27-15)12-28-20(25)17-10-14-8-7-13-4-1-2-6-16(13)19(14)29-17/h1-6,9-10H,7-8,11-12H2,(H2,22,23,24,26)