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

Systemtic Name: [7-methyl-6,8-bis(oxidanylidene)-2-(phenylmethyl)-3-thiophen-3-yl-isoquinolin-7-yl] cyclopentanecarboxylate Openeye Name: [2-benzyl-7-methyl-6,8-dioxo-3-(3-thienyl)-7-isoquinolyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [7-methyl-6,8-dioxo-2-(phenylmethyl)-3-(3-thiophenyl)-7-isoquinolinyl] ester IUPAC Name: (2-benzyl-7-methyl-6,8-dioxo-3-thiophen-3-ylisoquinolin-7-yl) cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-benzyl-6,8-diketo-7-methyl-3-(3-thienyl)-7-isoquinolyl] ester Formula: C27H25NO4S MolecularWeight: 459.5567

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3=CC=CC=C3)C4=CSC=C4)OC(=O)C5CCCC5

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3=CC=CC=C3)C4=CSC=C4)OC(=O)C5CCCC5

InChI

InChI=1S/C27H25NO4S/c1-27(32-26(31)19-9-5-6-10-19)24(29)14-21-13-23(20-11-12-33-17-20)28(16-22(21)25(27)30)15-18-7-3-2-4-8-18/h2-4,7-8,11-14,16-17,19H,5-6,9-10,15H2,1H3