dimethyl 4-[2,6-bis(chloranyl)phenyl]-2-[2-[4-[3-ethyl-3-(5-oxidanylidenepyrrolidin-2-yl)pentyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-6-[2-(1,3-thiazol-2-yl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: dimethyl 4-[2,6-bis(chloranyl)phenyl]-2-[2-[4-[3-ethyl-3-(5-oxidanylidenepyrrolidin-2-yl)pentyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-6-[2-(1,3-thiazol-2-yl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(2,6-dichlorophenyl)-2-[2-[4-[3-ethyl-3-(5-oxopyrrolidin-2-yl)pentyl]piperazin-1-yl]-2-oxo-ethyl]-6-(2-thiazol-2-ylethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2,6-dichlorophenyl)-2-[2-[4-[3-ethyl-3-(5-oxo-2-pyrrolidinyl)pentyl]-1-piperazinyl]-2-oxoethyl]-6-[2-(2-thiazolyl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(2,6-dichlorophenyl)-2-[2-[4-[3-ethyl-3-(5-oxopyrrolidin-2-yl)pentyl]piperazin-1-yl]-2-oxoethyl]-6-[2-(1,3-thiazol-2-yl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2,6-dichlorophenyl)-2-[2-[4-[3-ethyl-3-(5-ketopyrrolidin-2-yl)pentyl]piperazino]-2-keto-ethyl]-6-(2-thiazol-2-ylethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C37H47Cl2N5O6S MolecularWeight: 760.76998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCN1CCN(CC1)C(=O)CC2=C(C(C(=C(N2)CCC3=NC=CS3)C(=O)OC)C4=C(C=CC=C4Cl)Cl)C(=O)OC)C5CCC(=O)N5

Isomeric SMILES

CCC(CC)(CCN1CCN(CC1)C(=O)CC2=C(C(C(=C(N2)CCC3=NC=CS3)C(=O)OC)C4=C(C=CC=C4Cl)Cl)C(=O)OC)C5CCC(=O)N5

InChI

InChI=1S/C37H47Cl2N5O6S/c1-5-37(6-2,27-11-12-28(45)42-27)14-16-43-17-19-44(20-18-43)30(46)22-26-33(36(48)50-4)34(31-23(38)8-7-9-24(31)39)32(35(47)49-3)25(41-26)10-13-29-40-15-21-51-29/h7-9,15,21,27,34,41H,5-6,10-14,16-20,22H2,1-4H3,(H,42,45)