[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl] thiophene-2-carboxylate

Systemtic Name: [2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl] thiophene-2-carboxylate Openeye Name: [2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl] ester IUPAC Name: [2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl] ester Formula: C24H19ClO4S MolecularWeight: 438.92326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OC(=O)C4=CC=CS4

InChI

InChI=1S/C24H19ClO4S/c1-24(2,3)15-8-6-14(7-9-15)21-22(29-23(27)19-5-4-12-30-19)20(26)17-13-16(25)10-11-18(17)28-21/h4-13H,1-3H3