[2-[3-(diethylamino)propyl]-7-methyl-6,8-bis(oxidanylidene)-3-thiophen-3-yl-isoquinolin-7-yl] cyclopentanecarboxylate

Systemtic Name: [2-[3-(diethylamino)propyl]-7-methyl-6,8-bis(oxidanylidene)-3-thiophen-3-yl-isoquinolin-7-yl] cyclopentanecarboxylate Openeye Name: [2-[3-(diethylamino)propyl]-7-methyl-6,8-dioxo-3-(3-thienyl)-7-isoquinolyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-[3-(diethylamino)propyl]-7-methyl-6,8-dioxo-3-(3-thiophenyl)-7-isoquinolinyl] ester IUPAC Name: [2-[3-(diethylamino)propyl]-7-methyl-6,8-dioxo-3-thiophen-3-ylisoquinolin-7-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-[3-(diethylamino)propyl]-6,8-diketo-7-methyl-3-(3-thienyl)-7-isoquinolyl] ester Formula: C27H34N2O4S MolecularWeight: 482.63486

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN1C=C2C(=CC(=O)C(C2=O)(C)OC(=O)C3CCCC3)C=C1C4=CSC=C4

Isomeric SMILES

CCN(CC)CCCN1C=C2C(=CC(=O)C(C2=O)(C)OC(=O)C3CCCC3)C=C1C4=CSC=C4

InChI

InChI=1S/C27H34N2O4S/c1-4-28(5-2)12-8-13-29-17-22-21(15-23(29)20-11-14-34-18-20)16-24(30)27(3,25(22)31)33-26(32)19-9-6-7-10-19/h11,14-19H,4-10,12-13H2,1-3H3