diethyl 4-(2,1,3-benzoxadiazol-4-yl)-2-(carbamimidoylsulfanylmethyl)-6-cyano-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 4-(2,1,3-benzoxadiazol-4-yl)-2-(carbamimidoylsulfanylmethyl)-6-cyano-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 4-(2,1,3-benzoxadiazol-4-yl)-2-(carbamimidoylsulfanylmethyl)-6-cyano-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2,1,3-benzoxadiazol-4-yl)-2-[(carbamimidoylthio)methyl]-6-cyano-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-(2,1,3-benzoxadiazol-4-yl)-2-(carbamimidoylsulfanylmethyl)-6-cyano-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(amidinothio)methyl]-4-benzofurazan-4-yl-6-cyano-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C20H20N6O5S MolecularWeight: 456.475

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC3=NON=C32)C(=O)OCC)C#N)CSC(=N)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC3=NON=C32)C(=O)OCC)C#N)CSC(=N)N

InChI

InChI=1S/C20H20N6O5S/c1-3-29-18(27)15-12(8-21)24-13(9-32-20(22)23)16(19(28)30-4-2)14(15)10-6-5-7-11-17(10)26-31-25-11/h5-7,14,24H,3-4,9H2,1-2H3,(H3,22,23)