tert-butyl N-[6-chloranyl-7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate

Systemtic Name: tert-butyl N-[6-chloranyl-7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate Openeye Name: tert-butyl N-[6-chloro-7-(4-pyridylcarbamoyl)thiochroman-4-yl]carbamate CAS Name: N-[6-chloro-7-[oxo-(pyridin-4-ylamino)methyl]-3,4-dihydro-2H-1-benzothiopyran-4-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-chloro-7-(pyridin-4-ylcarbamoyl)-3,4-dihydro-2H-thiochromen-4-yl]carbamate Traditional Name: N-[6-chloro-7-(4-pyridylcarbamoyl)thiochroman-4-yl]carbamic acid tert-butyl ester Formula: C20H22ClN3O3S MolecularWeight: 419.92498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCSC2=C1C=C(C(=C2)C(=O)NC3=CC=NC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCSC2=C1C=C(C(=C2)C(=O)NC3=CC=NC=C3)Cl

InChI

InChI=1S/C20H22ClN3O3S/c1-20(2,3)27-19(26)24-16-6-9-28-17-11-13(15(21)10-14(16)17)18(25)23-12-4-7-22-8-5-12/h4-5,7-8,10-11,16H,6,9H2,1-3H3,(H,24,26)(H,22,23,25)