[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-(2-furylmethylcarbamoylamino)-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-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-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-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H20N2O6S MolecularWeight: 440.469

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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)NC(=O)NCC4=CC=CO4

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)OCC(=O)NC(=O)NCC4=CC=CO4

InChI

InChI=1S/C22H20N2O6S/c1-28-15-6-7-17-13(9-15)4-5-14-10-18(31-20(14)17)21(26)30-12-19(25)24-22(27)23-11-16-3-2-8-29-16/h2-3,6-10H,4-5,11-12H2,1H3,(H2,23,24,25,27)