[2-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-2-oxidanylidene-ethyl] furan-2-carboxylate

Systemtic Name: [2-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-2-oxidanylidene-ethyl] furan-2-carboxylate Openeye Name: [2-[(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-2-oxo-ethyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [2-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyano-4,5-dihydrobenzo[g][1]benzothiol-2-yl)amino]-2-oxoethyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [2-[(3-cyano-4,5-dihydrobenzo[g]benzothiophen-2-yl)amino]-2-keto-ethyl] ester Formula: C20H14N2O4S MolecularWeight: 378.40116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)SC(=C2C#N)NC(=O)COC(=O)C4=CC=CO4

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)SC(=C2C#N)NC(=O)COC(=O)C4=CC=CO4

InChI

InChI=1S/C20H14N2O4S/c21-10-15-14-8-7-12-4-1-2-5-13(12)18(14)27-19(15)22-17(23)11-26-20(24)16-6-3-9-25-16/h1-6,9H,7-8,11H2,(H,22,23)