methyl 7-methoxy-2-(pyrazin-2-ylcarbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

Systemtic Name: methyl 7-methoxy-2-(pyrazin-2-ylcarbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Openeye Name: methyl 7-methoxy-2-(pyrazine-2-carbonylamino)-4,5-dihydrobenzo[e]benzothiophene-1-carboxylate CAS Name: 7-methoxy-2-[[oxo(2-pyrazinyl)methyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid methyl ester IUPAC Name: methyl 7-methoxy-2-(pyrazine-2-carbonylamino)-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Traditional Name: 7-methoxy-2-(pyrazinoylamino)-4,5-dihydrobenzo[e]benzothiophene-1-carboxylic acid methyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)SC(=C3C(=O)OC)NC(=O)C4=NC=CN=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)SC(=C3C(=O)OC)NC(=O)C4=NC=CN=C4

InChI

InChI=1S/C20H17N3O4S/c1-26-12-4-5-13-11(9-12)3-6-15-16(13)17(20(25)27-2)19(28-15)23-18(24)14-10-21-7-8-22-14/h4-5,7-10H,3,6H2,1-2H3,(H,23,24)