tert-butyl 3-carbonochloridoyl-1-phenyl-2,4-dihydro-1H-thiochromeno[3,4-c]pyrazole-8-carboxylate

Systemtic Name: tert-butyl 3-carbonochloridoyl-1-phenyl-2,4-dihydro-1H-thiochromeno[3,4-c]pyrazole-8-carboxylate Openeye Name: tert-butyl 3-chlorocarbonyl-1-phenyl-2,4-dihydro-1H-thiochromeno[3,4-c]pyrazole-8-carboxylate CAS Name: 3-carbonochloridoyl-1-phenyl-2,4-dihydro-1H-thiochromeno[3,4-c]pyrazole-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-carbonochloridoyl-1-phenyl-2,4-dihydro-1H-thiochromeno[3,4-c]pyrazole-8-carboxylate Traditional Name: 3-chlorocarbonyl-1-phenyl-2,4-dihydro-1H-thiochromeno[3,4-c]pyrazole-8-carboxylic acid tert-butyl ester Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC2=C(C=C1)SCC3=C2C(NN3C(=O)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=C(C=C1)SCC3=C2C(NN3C(=O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN2O3S/c1-22(2,3)28-20(26)14-9-10-17-15(11-14)18-16(12-29-17)25(21(23)27)24-19(18)13-7-5-4-6-8-13/h4-11,19,24H,12H2,1-3H3