dimethyl 4-[2,6-bis(chloranyl)phenyl]-2-[2-oxidanylidene-2-[4-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]piperazin-1-yl]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-oxidanylidene-2-[4-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]piperazin-1-yl]ethyl]-6-[2-(1,3-thiazol-2-yl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 4-(2,6-dichlorophenyl)-2-[2-oxo-2-[4-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-1-yl]ethyl]-6-(2-thiazol-2-ylethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2,6-dichlorophenyl)-2-[2-oxo-2-[4-[3-(2-oxo-1-pyrrolidinyl)propyl]-1-piperazinyl]ethyl]-6-[2-(2-thiazolyl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(2,6-dichlorophenyl)-2-[2-oxo-2-[4-[3-(2-oxopyrrolidin-1-yl)propyl]piperazin-1-yl]ethyl]-6-[2-(1,3-thiazol-2-yl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 4-(2,6-dichlorophenyl)-2-[2-keto-2-[4-[3-(2-ketopyrrolidino)propyl]piperazino]ethyl]-6-(2-thiazol-2-ylethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C33H39Cl2N5O6S MolecularWeight: 704.66366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=C(C1C2=C(C=CC=C2Cl)Cl)C(=O)OC)CC(=O)N3CCN(CC3)CCCN4CCCC4=O)CCC5=NC=CS5

Isomeric SMILES

COC(=O)C1=C(NC(=C(C1C2=C(C=CC=C2Cl)Cl)C(=O)OC)CC(=O)N3CCN(CC3)CCCN4CCCC4=O)CCC5=NC=CS5

InChI

InChI=1S/C33H39Cl2N5O6S/c1-45-32(43)29-23(9-10-25-36-11-19-47-25)37-24(30(33(44)46-2)31(29)28-21(34)6-3-7-22(28)35)20-27(42)40-17-15-38(16-18-40)12-5-14-39-13-4-8-26(39)41/h3,6-7,11,19,31,37H,4-5,8-10,12-18,20H2,1-2H3