(1,3-dimethyl-8-oxidanylidene-6-thiophen-2-yl-cyclohepta[c]furan-4-yl) pyridine-4-carboxylate

Systemtic Name: (1,3-dimethyl-8-oxidanylidene-6-thiophen-2-yl-cyclohepta[c]furan-4-yl) pyridine-4-carboxylate Openeye Name: [1,3-dimethyl-8-oxo-6-(2-thienyl)cyclohepta[c]furan-4-yl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid (1,3-dimethyl-8-oxo-6-thiophen-2-yl-4-cyclohepta[c]furanyl) ester IUPAC Name: (1,3-dimethyl-8-oxo-6-thiophen-2-ylcyclohepta[c]furan-4-yl) pyridine-4-carboxylate Traditional Name: isonicotinic acid [8-keto-1,3-dimethyl-6-(2-thienyl)cyclohepta[c]furan-4-yl] ester Formula: C21H15NO4S MolecularWeight: 377.4131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC=CS3)OC(=O)C4=CC=NC=C4

Isomeric SMILES

CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC=CS3)OC(=O)C4=CC=NC=C4

InChI

InChI=1S/C21H15NO4S/c1-12-19-16(23)10-15(18-4-3-9-27-18)11-17(20(19)13(2)25-12)26-21(24)14-5-7-22-8-6-14/h3-11H,1-2H3