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

Systemtic Name: [2-(furan-2-ylmethyl)-7-methyl-6,8-bis(oxidanylidene)-3-thiophen-3-yl-isoquinolin-7-yl] cyclopentanecarboxylate Openeye Name: [2-(2-furylmethyl)-7-methyl-6,8-dioxo-3-(3-thienyl)-7-isoquinolyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-(2-furanylmethyl)-7-methyl-6,8-dioxo-3-(3-thiophenyl)-7-isoquinolinyl] ester IUPAC Name: [2-(furan-2-ylmethyl)-7-methyl-6,8-dioxo-3-thiophen-3-ylisoquinolin-7-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-(2-furfuryl)-6,8-diketo-7-methyl-3-(3-thienyl)-7-isoquinolyl] ester Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3=CC=CO3)C4=CSC=C4)OC(=O)C5CCCC5

Isomeric SMILES

CC1(C(=O)C=C2C=C(N(C=C2C1=O)CC3=CC=CO3)C4=CSC=C4)OC(=O)C5CCCC5

InChI

InChI=1S/C25H23NO5S/c1-25(31-24(29)16-5-2-3-6-16)22(27)12-18-11-21(17-8-10-32-15-17)26(14-20(18)23(25)28)13-19-7-4-9-30-19/h4,7-12,14-16H,2-3,5-6,13H2,1H3