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

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)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-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-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-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H16N2O4S2 MolecularWeight: 424.49274

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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(C=CS4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)OCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C21H16N2O4S2/c1-26-15-4-5-16-12(8-15)2-3-13-9-17(29-19(13)16)21(25)27-11-18(24)23-20-14(10-22)6-7-28-20/h4-9H,2-3,11H2,1H3,(H,23,24)