tert-butyl N-[4-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[(6-fluorothiochroman-4-yl)carbamoyl]phenyl]carbamate CAS Name: N-[4-[[(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)amino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)carbamoyl]phenyl]carbamate Traditional Name: N-[4-[(6-fluorothiochroman-4-yl)carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C21H23FN2O3S MolecularWeight: 402.482323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NC2CCSC3=C2C=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NC2CCSC3=C2C=C(C=C3)F

InChI

InChI=1S/C21H23FN2O3S/c1-21(2,3)27-20(26)23-15-7-4-13(5-8-15)19(25)24-17-10-11-28-18-9-6-14(22)12-16(17)18/h4-9,12,17H,10-11H2,1-3H3,(H,23,26)(H,24,25)