(8-cyclopentylcarbonyloxy-7-methyl-6-oxidanylidene-3-thiophen-3-yl-isoquinolin-7-yl) 6-chloranylpyridine-3-carboxylate

Systemtic Name: (8-cyclopentylcarbonyloxy-7-methyl-6-oxidanylidene-3-thiophen-3-yl-isoquinolin-7-yl) 6-chloranylpyridine-3-carboxylate Openeye Name: [8-(cyclopentanecarbonyloxy)-7-methyl-6-oxo-3-(3-thienyl)-7-isoquinolyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [8-[cyclopentyl(oxo)methoxy]-7-methyl-6-oxo-3-(3-thiophenyl)-7-isoquinolinyl] ester IUPAC Name: [8-(cyclopentanecarbonyloxy)-7-methyl-6-oxo-3-thiophen-3-ylisoquinolin-7-yl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [8-(cyclopentanecarbonyloxy)-6-keto-7-methyl-3-(3-thienyl)-7-isoquinolyl] ester Formula: C26H21ClN2O5S MolecularWeight: 508.97334

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(N=CC2=C1OC(=O)C3CCCC3)C4=CSC=C4)OC(=O)C5=CN=C(C=C5)Cl

Isomeric SMILES

CC1(C(=O)C=C2C=C(N=CC2=C1OC(=O)C3CCCC3)C4=CSC=C4)OC(=O)C5=CN=C(C=C5)Cl

InChI

InChI=1S/C26H21ClN2O5S/c1-26(34-25(32)16-6-7-22(27)29-12-16)21(30)11-18-10-20(17-8-9-35-14-17)28-13-19(18)23(26)33-24(31)15-4-2-3-5-15/h6-15H,2-5H2,1H3