O3-ethyl O5-piperazin-1-yl 2-octan-3-yl-6-[2-(1,3-thiazol-2-yl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: O3-ethyl O5-piperazin-1-yl 2-octan-3-yl-6-[2-(1,3-thiazol-2-yl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: O3-ethyl O5-piperazin-1-yl 2-(1-ethylhexyl)-6-(2-thiazol-2-ylethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-octan-3-yl-6-[2-(2-thiazolyl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-(1-piperazinyl) ester IUPAC Name: 3-O-ethyl 5-O-piperazin-1-yl 2-octan-3-yl-6-[2-(1,3-thiazol-2-yl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(1-ethylhexyl)-6-(2-thiazol-2-ylethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-piperazino ester Formula: C26H40N4O4S MolecularWeight: 504.6852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1=C(CC(=C(N1)CCC2=NC=CS2)C(=O)ON3CCNCC3)C(=O)OCC

Isomeric SMILES

CCCCCC(CC)C1=C(CC(=C(N1)CCC2=NC=CS2)C(=O)ON3CCNCC3)C(=O)OCC

InChI

InChI=1S/C26H40N4O4S/c1-4-7-8-9-19(5-2)24-21(25(31)33-6-3)18-20(26(32)34-30-15-12-27-13-16-30)22(29-24)10-11-23-28-14-17-35-23/h14,17,19,27,29H,4-13,15-16,18H2,1-3H3