[7-methyl-6,8-bis(oxidanylidene)-3-thiophen-3-yl-5H-isoquinolin-7-yl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [7-methyl-6,8-bis(oxidanylidene)-3-thiophen-3-yl-5H-isoquinolin-7-yl] 6-chloranylpyridine-3-carboxylate Openeye Name: [7-methyl-6,8-dioxo-3-(3-thienyl)-5H-isoquinolin-7-yl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [7-methyl-6,8-dioxo-3-(3-thiophenyl)-5H-isoquinolin-7-yl] ester IUPAC Name: (7-methyl-6,8-dioxo-3-thiophen-3-yl-5H-isoquinolin-7-yl) 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [6,8-diketo-7-methyl-3-(3-thienyl)-5H-isoquinolin-7-yl] ester Formula: C20H13ClN2O4S MolecularWeight: 412.84622

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)CC2=CC(=NC=C2C1=O)C3=CSC=C3)OC(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CC1(C(=O)CC2=CC(=NC=C2C1=O)C3=CSC=C3)OC(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C20H13ClN2O4S/c1-20(27-19(26)11-2-3-17(21)23-8-11)16(24)7-13-6-15(12-4-5-28-10-12)22-9-14(13)18(20)25/h2-6,8-10H,7H2,1H3