dimethyl 4-[2,6-bis(chloranyl)phenyl]-2-[2-[4-[[1-[1-(ethylamino)-2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]cyclopentyl]methyl]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-[[1-[1-(ethylamino)-2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]cyclopentyl]methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-6-[2-(1,3-thiazol-2-yl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: dimethyl 2-[2-[4-[[1-[2-tert-butoxy-1-(ethylamino)-2-oxo-ethyl]cyclopentyl]methyl]piperazin-1-yl]-2-oxo-ethyl]-4-(2,6-dichlorophenyl)-6-(2-thiazol-2-ylethyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 4-(2,6-dichlorophenyl)-2-[2-[4-[[1-[1-(ethylamino)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]methyl]-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-[[1-[1-(ethylamino)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentyl]methyl]piperazin-1-yl]-2-oxoethyl]-6-[2-(1,3-thiazol-2-yl)ethyl]-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[2-[4-[[1-[2-tert-butoxy-1-(ethylamino)-2-keto-ethyl]cyclopentyl]methyl]piperazino]-2-keto-ethyl]-4-(2,6-dichlorophenyl)-6-(2-thiazol-2-ylethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester Formula: C40H53Cl2N5O7S MolecularWeight: 818.84912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(C(=O)OC(C)(C)C)C1(CCCC1)CN2CCN(CC2)C(=O)CC3=C(C(C(=C(N3)CCC4=NC=CS4)C(=O)OC)C5=C(C=CC=C5Cl)Cl)C(=O)OC

Isomeric SMILES

CCNC(C(=O)OC(C)(C)C)C1(CCCC1)CN2CCN(CC2)C(=O)CC3=C(C(C(=C(N3)CCC4=NC=CS4)C(=O)OC)C5=C(C=CC=C5Cl)Cl)C(=O)OC

InChI

InChI=1S/C40H53Cl2N5O7S/c1-7-43-35(38(51)54-39(2,3)4)40(15-8-9-16-40)24-46-18-20-47(21-19-46)30(48)23-28-33(37(50)53-6)34(31-25(41)11-10-12-26(31)42)32(36(49)52-5)27(45-28)13-14-29-44-17-22-55-29/h10-12,17,22,34-35,43,45H,7-9,13-16,18-21,23-24H2,1-6H3