5-(3-ethyl-1-oxidanylidene-2-piperazin-1-yl-octan-2-yl)oxycarbonyl-2-(2-thiophen-2-ylethyl)-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 5-(3-ethyl-1-oxidanylidene-2-piperazin-1-yl-octan-2-yl)oxycarbonyl-2-(2-thiophen-2-ylethyl)-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 5-(2-ethyl-1-formyl-1-piperazin-1-yl-heptoxy)carbonyl-2-[2-(2-thienyl)ethyl]-1,4-dihydropyridine-3-carboxylic acid CAS Name: 5-[[3-ethyl-1-oxo-2-(1-piperazinyl)octan-2-yl]oxy-oxomethyl]-2-(2-thiophen-2-ylethyl)-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 5-(3-ethyl-1-oxo-2-piperazin-1-yloctan-2-yl)oxycarbonyl-2-(2-thiophen-2-ylethyl)-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-(2-ethyl-1-formyl-1-piperazino-heptoxy)carbonyl-2-[2-(2-thienyl)ethyl]-1,4-dihydropyridine-3-carboxylic acid Formula: C27H39N3O5S MolecularWeight: 517.68066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C(C=O)(N1CCNCC1)OC(=O)C2=CNC(=C(C2)C(=O)O)CCC3=CC=CS3

Isomeric SMILES

CCCCCC(CC)C(C=O)(N1CCNCC1)OC(=O)C2=CNC(=C(C2)C(=O)O)CCC3=CC=CS3

InChI

InChI=1S/C27H39N3O5S/c1-3-5-6-8-21(4-2)27(19-31,30-14-12-28-13-15-30)35-26(34)20-17-23(25(32)33)24(29-18-20)11-10-22-9-7-16-36-22/h7,9,16,18-19,21,28-29H,3-6,8,10-15,17H2,1-2H3,(H,32,33)