O3-ethyl O5-(2-methoxyethyl) 2-(carbamimidoylsulfanylmethyl)-6-cyano-4-thiophen-3-yl-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-(2-methoxyethyl) 2-(carbamimidoylsulfanylmethyl)-6-cyano-4-thiophen-3-yl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-(2-methoxyethyl) 2-(carbamimidoylsulfanylmethyl)-6-cyano-4-(3-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[(carbamimidoylthio)methyl]-6-cyano-4-(3-thiophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(2-methoxyethyl) ester IUPAC Name: 3-O-ethyl 5-O-(2-methoxyethyl) 2-(carbamimidoylsulfanylmethyl)-6-cyano-4-thiophen-3-yl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[(amidinothio)methyl]-6-cyano-4-(3-thienyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(2-methoxyethyl) ester Formula: C19H22N4O5S2 MolecularWeight: 450.53178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CSC=C2)C(=O)OCCOC)C#N)CSC(=N)N

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CSC=C2)C(=O)OCCOC)C#N)CSC(=N)N

InChI

InChI=1S/C19H22N4O5S2/c1-3-27-17(24)16-13(10-30-19(21)22)23-12(8-20)15(18(25)28-6-5-26-2)14(16)11-4-7-29-9-11/h4,7,9,14,23H,3,5-6,10H2,1-2H3,(H3,21,22)