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

Systemtic Name: [7-methyl-6,8-bis(oxidanylidene)-3-thiophen-3-yl-isochromen-7-yl] cyclopentanecarboxylate Openeye Name: [7-methyl-6,8-dioxo-3-(3-thienyl)isochromen-7-yl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [7-methyl-6,8-dioxo-3-(3-thiophenyl)-2-benzopyran-7-yl] ester IUPAC Name: (7-methyl-6,8-dioxo-3-thiophen-3-ylisochromen-7-yl) cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [6,8-diketo-7-methyl-3-(3-thienyl)isochromen-7-yl] ester Formula: C20H18O5S MolecularWeight: 370.41892

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C=C2C=C(OC=C2C1=O)C3=CSC=C3)OC(=O)C4CCCC4

Isomeric SMILES

CC1(C(=O)C=C2C=C(OC=C2C1=O)C3=CSC=C3)OC(=O)C4CCCC4

InChI

InChI=1S/C20H18O5S/c1-20(25-19(23)12-4-2-3-5-12)17(21)9-14-8-16(13-6-7-26-11-13)24-10-15(14)18(20)22/h6-12H,2-5H2,1H3