[1-(1-oxidanylideneisochromen-3-yl)cyclohexyl] thiophene-2-carboxylate

Systemtic Name: [1-(1-oxidanylideneisochromen-3-yl)cyclohexyl] thiophene-2-carboxylate Openeye Name: [1-(1-oxoisochromen-3-yl)cyclohexyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [1-(1-oxo-2-benzopyran-3-yl)cyclohexyl] ester IUPAC Name: [1-(1-oxoisochromen-3-yl)cyclohexyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [1-(1-ketoisochromen-3-yl)cyclohexyl] ester Formula: C20H18O4S MolecularWeight: 354.41952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC3=CC=CC=C3C(=O)O2)OC(=O)C4=CC=CS4

Isomeric SMILES

C1CCC(CC1)(C2=CC3=CC=CC=C3C(=O)O2)OC(=O)C4=CC=CS4

InChI

InChI=1S/C20H18O4S/c21-18-15-8-3-2-7-14(15)13-17(23-18)20(10-4-1-5-11-20)24-19(22)16-9-6-12-25-16/h2-3,6-9,12-13H,1,4-5,10-11H2